1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide

C20H20N6O — CID 131924675

IUPAC1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nncn2CCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N6O/c1-25-17-10-6-5-9-16(17)19(24-25)20(27)21-13-18-23-22-14-26(18)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,27)
InChIKeyMOSCQDFXMOCYIC-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.34
Rot. Bonds6

About 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide

1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide (PubChem CID 131924675) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
PubChem CID131924675
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nncn2CCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H20N6O/c1-25-17-10-6-5-9-16(17)19(24-25)20(27)21-13-18-23-22-14-26(18)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,27)
InChIKeyMOSCQDFXMOCYIC-UHFFFAOYSA-N
XLogP2.34
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide 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

4,4,4-trifluoro-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]butanamide
CID 118775336
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
CID 91767891
(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 118772148
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
1-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]indazole-3-carboxamide
CID 91818160
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide (CID 131924675) is 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide is Cn1nc(C(=O)NCc2nncn2CCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide?
The InChIKey is MOSCQDFXMOCYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-17-10-6-5-9-16(17)19(24-25)20(27)21-13-18-23-22-14-26(18)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,21,27).
What are the key properties of 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide?
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 131924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).