N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine

C7H12N4 — CID 62755384

IUPACN-[(1-methyltriazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)nn1
InChIInChI=1S/C7H12N4/c1-11-5-7(9-10-11)4-8-6-2-3-6/h5-6,8H,2-4H2,1H3
InChIKeyCOBJBBVQXYDCJU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.07
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine

N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine (PubChem CID 62755384) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]cyclopropanamine
PubChem CID62755384
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)nn1
InChIInChI=1S/C7H12N4/c1-11-5-7(9-10-11)4-8-6-2-3-6/h5-6,8H,2-4H2,1H3
InChIKeyCOBJBBVQXYDCJU-UHFFFAOYSA-N
XLogP0.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine (CID 62755384) is N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine is Cn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine?
The InChIKey is COBJBBVQXYDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-11-5-7(9-10-11)4-8-6-2-3-6/h5-6,8H,2-4H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine?
N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine has a molecular weight of 152.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62755384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).