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

C5H9N5O — CID 129156156

IUPACN-[1-(aminomethyl)triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(CN)nn1
InChIInChI=1S/C5H9N5O/c1-4(11)7-5-2-10(3-6)9-8-5/h2H,3,6H2,1H3,(H,7,11)
InChIKeyYMNIHDAPPYRUJI-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.85
Rot. Bonds2

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

N-[1-(aminomethyl)triazol-4-yl]acetamide (PubChem CID 129156156) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is N-[1-(aminomethyl)triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)triazol-4-yl]acetamide
PubChem CID129156156
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC NameN-[1-(aminomethyl)triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(CN)nn1
InChIInChI=1S/C5H9N5O/c1-4(11)7-5-2-10(3-6)9-8-5/h2H,3,6H2,1H3,(H,7,11)
InChIKeyYMNIHDAPPYRUJI-UHFFFAOYSA-N
XLogP-0.85
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)triazol-4-yl]acetamide?
The IUPAC name of N-[1-(aminomethyl)triazol-4-yl]acetamide (CID 129156156) is N-[1-(aminomethyl)triazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)triazol-4-yl]acetamide?
The canonical SMILES for N-[1-(aminomethyl)triazol-4-yl]acetamide is CC(=O)Nc1cn(CN)nn1.
What is the InChIKey of N-[1-(aminomethyl)triazol-4-yl]acetamide?
The InChIKey is YMNIHDAPPYRUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-4(11)7-5-2-10(3-6)9-8-5/h2H,3,6H2,1H3,(H,7,11).
What are the key properties of N-[1-(aminomethyl)triazol-4-yl]acetamide?
N-[1-(aminomethyl)triazol-4-yl]acetamide has a molecular weight of 155.16 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)triazol-4-yl]acetamide is sourced from PubChem (CID 129156156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).