[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine

C12H20N4 — CID 115451900

IUPAC[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
SMILESNCC1(c2nncn2C2CCCCC2)CC1
InChIInChI=1S/C12H20N4/c13-8-12(6-7-12)11-15-14-9-16(11)10-4-2-1-3-5-10/h9-10H,1-8,13H2
InChIKeyHKOOSWXQHUDQOX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds3

About [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine

[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine (PubChem CID 115451900) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
PubChem CID115451900
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine
SMILESNCC1(c2nncn2C2CCCCC2)CC1
InChIInChI=1S/C12H20N4/c13-8-12(6-7-12)11-15-14-9-16(11)10-4-2-1-3-5-10/h9-10H,1-8,13H2
InChIKeyHKOOSWXQHUDQOX-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine (CID 115451900) is [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine is NCC1(c2nncn2C2CCCCC2)CC1.
What is the InChIKey of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The InChIKey is HKOOSWXQHUDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-8-12(6-7-12)11-15-14-9-16(11)10-4-2-1-3-5-10/h9-10H,1-8,13H2.
What are the key properties of [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
[1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexyl-1,2,4-triazol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115451900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).