N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide

C16H18N8O2 — CID 166320104

IUPACN-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)NC(c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H18N8O2/c1-17-15(25)13-14(22-23-21-13)20-16(26)19-12(10-6-4-3-5-7-10)11-8-18-24(2)9-11/h3-9,12H,1-2H3,(H,17,25)(H3,19,20,21,22,23,26)
InChIKeyMJUODKMUCYTKJR-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.81
Rot. Bonds5

About N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide

N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide (PubChem CID 166320104) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide
PubChem CID166320104
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide
SMILESCNC(=O)c1n[nH]nc1NC(=O)NC(c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C16H18N8O2/c1-17-15(25)13-14(22-23-21-13)20-16(26)19-12(10-6-4-3-5-7-10)11-8-18-24(2)9-11/h3-9,12H,1-2H3,(H,17,25)(H3,19,20,21,22,23,26)
InChIKeyMJUODKMUCYTKJR-UHFFFAOYSA-N
XLogP0.81
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-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

5-[[cyclobutyl-(1-methylpyrazol-4-yl)methyl]carbamoylamino]-N-methyl-2H-triazole-4-carboxamide
CID 166320102
1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea
CID 166209852
4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 167967283
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
CID 122245913
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
2-ethoxy-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126799308
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide (CID 166320104) is N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide is CNC(=O)c1n[nH]nc1NC(=O)NC(c1ccccc1)c1cnn(C)c1.
What is the InChIKey of N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide?
The InChIKey is MJUODKMUCYTKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c1-17-15(25)13-14(22-23-21-13)20-16(26)19-12(10-6-4-3-5-7-10)11-8-18-24(2)9-11/h3-9,12H,1-2H3,(H,17,25)(H3,19,20,21,22,23,26).
What are the key properties of N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide?
N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide is sourced from PubChem (CID 166320104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).