N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide

C14H15N7O2 — CID 112527931

IUPACN-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)Nc2n[nH]c3ccccc23)nn1
InChIInChI=1S/C14H15N7O2/c1-2-12(22)15-11-7-21(20-18-11)8-13(23)16-14-9-5-3-4-6-10(9)17-19-14/h3-7H,2,8H2,1H3,(H,15,22)(H2,16,17,19,23)
InChIKeyLFJDPNQKWKPOPV-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.14
Rot. Bonds5

About N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112527931) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112527931
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)Nc2n[nH]c3ccccc23)nn1
InChIInChI=1S/C14H15N7O2/c1-2-12(22)15-11-7-21(20-18-11)8-13(23)16-14-9-5-3-4-6-10(9)17-19-14/h3-7H,2,8H2,1H3,(H,15,22)(H2,16,17,19,23)
InChIKeyLFJDPNQKWKPOPV-UHFFFAOYSA-N
XLogP1.14
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-[2-(1H-indol-3-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527007
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-3-yl)acetamide
CID 60735352
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112526094
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide (CID 112527931) is N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)Nc2n[nH]c3ccccc23)nn1.
What is the InChIKey of N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is LFJDPNQKWKPOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-2-12(22)15-11-7-21(20-18-11)8-13(23)16-14-9-5-3-4-6-10(9)17-19-14/h3-7H,2,8H2,1H3,(H,15,22)(H2,16,17,19,23).
What are the key properties of N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 313.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112527931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).