2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide

C10H15N7O — CID 113314181

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H15N7O/c1-16-3-2-12-9(16)5-13-10(18)7-17-6-8(4-11)14-15-17/h2-3,6H,4-5,7,11H2,1H3,(H,13,18)
InChIKeyFVSDPPSVXHNFQN-UHFFFAOYSA-N
MW249.28 g/mol
LogP-1.21
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 113314181) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID113314181
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H15N7O/c1-16-3-2-12-9(16)5-13-10(18)7-17-6-8(4-11)14-15-17/h2-3,6H,4-5,7,11H2,1H3,(H,13,18)
InChIKeyFVSDPPSVXHNFQN-UHFFFAOYSA-N
XLogP-1.21
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 115459572
2-[4-(aminomethyl)triazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 113314182
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738334
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 113314102
2-(5-amino-2-oxo-1-pyridinyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63296028
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 113314181) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is FVSDPPSVXHNFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-16-3-2-12-9(16)5-13-10(18)7-17-6-8(4-11)14-15-17/h2-3,6H,4-5,7,11H2,1H3,(H,13,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 249.28 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 113314181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).