2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide

C9H15N5O — CID 62055546

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)C1CC1
InChIInChI=1S/C9H15N5O/c1-13(8-2-3-8)9(15)6-14-5-7(4-10)11-12-14/h5,8H,2-4,6,10H2,1H3
InChIKeyNCZKTKLRCVMLSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.64
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 62055546) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID62055546
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)C1CC1
InChIInChI=1S/C9H15N5O/c1-13(8-2-3-8)9(15)6-14-5-7(4-10)11-12-14/h5,8H,2-4,6,10H2,1H3
InChIKeyNCZKTKLRCVMLSJ-UHFFFAOYSA-N
XLogP-0.64
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 106221307
2-[4-(aminomethyl)triazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 62053957
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631909
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 63997330
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 115459437
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112658923

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide (CID 62055546) is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cc(CN)nn1)C1CC1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is NCZKTKLRCVMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13(8-2-3-8)9(15)6-14-5-7(4-10)11-12-14/h5,8H,2-4,6,10H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 209.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62055546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).