2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C9H13N7O2 — CID 113314102

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)Cn2cc(CN)nn2)n1
InChIInChI=1S/C9H13N7O2/c1-6-12-9(18-14-6)3-11-8(17)5-16-4-7(2-10)13-15-16/h4H,2-3,5,10H2,1H3,(H,11,17)
InChIKeyLWLJMOOMZCRSTG-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.26
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 113314102) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID113314102
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1noc(CNC(=O)Cn2cc(CN)nn2)n1
InChIInChI=1S/C9H13N7O2/c1-6-12-9(18-14-6)3-11-8(17)5-16-4-7(2-10)13-15-16/h4H,2-3,5,10H2,1H3,(H,11,17)
InChIKeyLWLJMOOMZCRSTG-UHFFFAOYSA-N
XLogP-1.26
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
2-[4-(aminomethyl)triazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 113314182
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115460069
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 113314181
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
CID 61013892
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-ylacetamide
CID 61014230
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727118
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738334
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 113314102) is 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1noc(CNC(=O)Cn2cc(CN)nn2)n1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is LWLJMOOMZCRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c1-6-12-9(18-14-6)3-11-8(17)5-16-4-7(2-10)13-15-16/h4H,2-3,5,10H2,1H3,(H,11,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 251.25 g/mol, XLogP of -1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 113314102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).