4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine

C12H20N4 — CID 79880518

IUPAC4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCCn1ncnc1C=C1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-2-7-16-12(14-9-15-16)8-10-3-5-11(13)6-4-10/h8-9,11H,2-7,13H2,1H3/b10-8-
InChIKeyVSTHRLKOHOUUIB-NTMALXAHSA-N
MW220.32 g/mol
LogP1.97
Rot. Bonds3

About 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine

4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine (PubChem CID 79880518) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine
PubChem CID79880518
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCCn1ncnc1C=C1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-2-7-16-12(14-9-15-16)8-10-3-5-11(13)6-4-10/h8-9,11H,2-7,13H2,1H3/b10-8-
InChIKeyVSTHRLKOHOUUIB-NTMALXAHSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine (CID 79880518) is 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine is CCCn1ncnc1C=C1CCC(N)CC1.
What is the InChIKey of 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine?
The InChIKey is VSTHRLKOHOUUIB-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-7-16-12(14-9-15-16)8-10-3-5-11(13)6-4-10/h8-9,11H,2-7,13H2,1H3/b10-8-.
What are the key properties of 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine?
4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propyl-1,2,4-triazol-3-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 79880518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).