4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine

C10H16N4 — CID 107058877

IUPAC4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine
SMILESCn1cc(C=C2CCC(N)CC2)nn1
InChIInChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-2-4-9(11)5-3-8/h6-7,9H,2-5,11H2,1H3/b8-6-
InChIKeyPOBDFCPHUGCADC-VURMDHGXSA-N
MW192.27 g/mol
LogP1.10
Rot. Bonds1

About 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine

4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine (PubChem CID 107058877) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine
PubChem CID107058877
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine
SMILESCn1cc(C=C2CCC(N)CC2)nn1
InChIInChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-2-4-9(11)5-3-8/h6-7,9H,2-5,11H2,1H3/b8-6-
InChIKeyPOBDFCPHUGCADC-VURMDHGXSA-N
XLogP1.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine (CID 107058877) is 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine is Cn1cc(C=C2CCC(N)CC2)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine?
The InChIKey is POBDFCPHUGCADC-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-7-10(12-13-14)6-8-2-4-9(11)5-3-8/h6-7,9H,2-5,11H2,1H3/b8-6-.
What are the key properties of 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine?
4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltriazol-4-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 107058877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).