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

C12H22N4 — CID 115715335

IUPAC1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nnc(CNC(C(C)C)C2CC2)n1C
InChIInChI=1S/C12H22N4/c1-8(2)12(10-5-6-10)13-7-11-15-14-9(3)16(11)4/h8,10,12-13H,5-7H2,1-4H3
InChIKeyZOLIIJBMJVWBDU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.65
Rot. Bonds5

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

1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 115715335) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID115715335
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nnc(CNC(C(C)C)C2CC2)n1C
InChIInChI=1S/C12H22N4/c1-8(2)12(10-5-6-10)13-7-11-15-14-9(3)16(11)4/h8,10,12-13H,5-7H2,1-4H3
InChIKeyZOLIIJBMJVWBDU-UHFFFAOYSA-N
XLogP1.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (CID 115715335) is 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine is Cc1nnc(CNC(C(C)C)C2CC2)n1C.
What is the InChIKey of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZOLIIJBMJVWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)12(10-5-6-10)13-7-11-15-14-9(3)16(11)4/h8,10,12-13H,5-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.65, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 115715335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).