1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one

C16H17N5O2 — CID 158642114

IUPAC1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
SMILESO=C(CCc1cn(CC2CCO2)nn1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N5O2/c22-15(16-13-3-1-2-4-14(13)18-19-16)6-5-11-9-21(20-17-11)10-12-7-8-23-12/h1-4,9,12H,5-8,10H2,(H,18,19)
InChIKeyBGEMNNOYSPNKBP-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.76
Rot. Bonds6

About 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one

1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one (PubChem CID 158642114) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
PubChem CID158642114
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
SMILESO=C(CCc1cn(CC2CCO2)nn1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N5O2/c22-15(16-13-3-1-2-4-14(13)18-19-16)6-5-11-9-21(20-17-11)10-12-7-8-23-12/h1-4,9,12H,5-8,10H2,(H,18,19)
InChIKeyBGEMNNOYSPNKBP-UHFFFAOYSA-N
XLogP1.76
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-indazol-3-yl)-3-[1-(1,3,5-triazin-2-ylmethyl)triazol-4-yl]propan-1-one
CID 159452543
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
3-[1-(cyclopropylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-[(2,2-difluorocyclopropyl)methyl]triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;3-[1-(furan-2-ylmethyl)triazol-4-yl]-1-(1H-indazol-3-yl)propan-1-one;1-(1H-indazol-3-yl)-3-[1-[(2-methyloxiran-2-yl)methyl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-[1-(oxiran-2-yl)ethyl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-[2-(oxiran-2-yl)propan-2-yl]triazol-4-yl]propan-1-one;1-(1H-indazol-3-yl)-3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propan-1-one
CID 160512794
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
1H-indazol-3-yl-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone
CID 9463048
1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
CID 90371058
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(1H-indazol-3-yl)ethanone;hydrochloride
CID 159366954
tris(5-bromo-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide);bis(1-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyltriazole);[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;bis(N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1H-indazole-3-carboxamide);N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;1-(1H-indazol-3-yl)-3-[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;bis(1-(1H-indazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one);1-(1-methylindazol-3-yl)-3-[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]propan-1-one;4-(4-methylphenyl)sulfonyl-1-[[(2R)-oxiran-2-yl]methyl]triazole;4-(4-methylphenyl)sulfonyl-1-[[(2S)-oxiran-2-yl]methyl]triazole;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]-1H-indole-3-carboxamide
CID 165059167
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one?
The IUPAC name of 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one (CID 158642114) is 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one?
The canonical SMILES for 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one is O=C(CCc1cn(CC2CCO2)nn1)c1n[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one?
The InChIKey is BGEMNNOYSPNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(16-13-3-1-2-4-14(13)18-19-16)6-5-11-9-21(20-17-11)10-12-7-8-23-12/h1-4,9,12H,5-8,10H2,(H,18,19).
What are the key properties of 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one?
1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one has a molecular weight of 311.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one is sourced from PubChem (CID 158642114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).