1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine

C9H16N4 — CID 43524641

IUPAC1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nnc(CNCC2CC2)n1C
InChIInChI=1S/C9H16N4/c1-7-11-12-9(13(7)2)6-10-5-8-3-4-8/h8,10H,3-6H2,1-2H3
InChIKeyNNCNMUVSVFEZSE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.62
Rot. Bonds4

About 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine

1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 43524641) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID43524641
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nnc(CNCC2CC2)n1C
InChIInChI=1S/C9H16N4/c1-7-11-12-9(13(7)2)6-10-5-8-3-4-8/h8,10H,3-6H2,1-2H3
InChIKeyNNCNMUVSVFEZSE-UHFFFAOYSA-N
XLogP0.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243673
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855695
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79359001
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600095
2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63828555
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616964
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylethanamine
CID 63966644
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propane-1,2-diol
CID 66168670
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113463774
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 115715335

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 43524641) is 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nnc(CNCC2CC2)n1C.
What is the InChIKey of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is NNCNMUVSVFEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-11-12-9(13(7)2)6-10-5-8-3-4-8/h8,10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 43524641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).