N-methyl-N-[2-(triazol-1-yl)propyl]formamide

C7H12N4O — CID 90155563

IUPACN-methyl-N-[2-(triazol-1-yl)propyl]formamide
SMILESCC(CN(C)C=O)n1ccnn1
InChIInChI=1S/C7H12N4O/c1-7(5-10(2)6-12)11-4-3-8-9-11/h3-4,6-7H,5H2,1-2H3
InChIKeyOGYFCEVBZDBOAO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds4

About N-methyl-N-[2-(triazol-1-yl)propyl]formamide

N-methyl-N-[2-(triazol-1-yl)propyl]formamide (PubChem CID 90155563) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-N-[2-(triazol-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-(triazol-1-yl)propyl]formamide
PubChem CID90155563
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-methyl-N-[2-(triazol-1-yl)propyl]formamide
SMILESCC(CN(C)C=O)n1ccnn1
InChIInChI=1S/C7H12N4O/c1-7(5-10(2)6-12)11-4-3-8-9-11/h3-4,6-7H,5H2,1-2H3
InChIKeyOGYFCEVBZDBOAO-UHFFFAOYSA-N
XLogP-0.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylformamide;1-hydroxytriazole
CID 174891213
methyl (2S,3R)-2-amino-3-(triazol-1-yl)butanoate
CID 99737599
N,N-diethyl-1-(triazol-1-yl)propan-1-amine
CID 91155754
1-[(1S)-1-phenylethyl]triazole
CID 175706857
1-(4-methyloctan-3-yl)triazole
CID 167298124
(2R)-1-(triazol-1-yl)propan-2-amine
CID 59543908
N-(aminomethyl)-N-methylformamide
CID 57084326
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
2-(triazol-1-yl)heptanoic acid
CID 69479443
2-sulfanyl-2-(triazol-1-yl)acetonitrile
CID 135340388
(2S)-2-methyl-3-(triazol-1-yl)propanenitrile
CID 170631739
2,3-bis(triazol-1-yl)propan-1-ol
CID 118272391

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(triazol-1-yl)propyl]formamide?
The IUPAC name of N-methyl-N-[2-(triazol-1-yl)propyl]formamide (CID 90155563) is N-methyl-N-[2-(triazol-1-yl)propyl]formamide.
What is the SMILES notation for N-methyl-N-[2-(triazol-1-yl)propyl]formamide?
The canonical SMILES for N-methyl-N-[2-(triazol-1-yl)propyl]formamide is CC(CN(C)C=O)n1ccnn1.
What is the InChIKey of N-methyl-N-[2-(triazol-1-yl)propyl]formamide?
The InChIKey is OGYFCEVBZDBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(5-10(2)6-12)11-4-3-8-9-11/h3-4,6-7H,5H2,1-2H3.
What are the key properties of N-methyl-N-[2-(triazol-1-yl)propyl]formamide?
N-methyl-N-[2-(triazol-1-yl)propyl]formamide has a molecular weight of 168.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(triazol-1-yl)propyl]formamide is sourced from PubChem (CID 90155563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).