5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine

C9H14F2N4 — CID 104605344

IUPAC5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C9H14F2N4/c1-15-8(12)13-7(14-15)6-2-4-9(10,11)5-3-6/h6H,2-5H2,1H3,(H2,12,13,14)
InChIKeyMAVQZMQLCKSUFQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.69
Rot. Bonds1

About 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine

5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104605344) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID104605344
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(C2CCC(F)(F)CC2)nc1N
InChIInChI=1S/C9H14F2N4/c1-15-8(12)13-7(14-15)6-2-4-9(10,11)5-3-6/h6H,2-5H2,1H3,(H2,12,13,14)
InChIKeyMAVQZMQLCKSUFQ-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605414
5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605683
2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
CID 114824901
5-(4-amino-2,2,3-trimethylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 102631002
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone
CID 136553835
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxylic acid
CID 131097861
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62720886
5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide
CID 175584216
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 104605775

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine (CID 104605344) is 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(C2CCC(F)(F)CC2)nc1N.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is MAVQZMQLCKSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-15-8(12)13-7(14-15)6-2-4-9(10,11)5-3-6/h6H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine?
5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 216.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).