4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride

C9H18Cl2N4 — CID 155822918

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCC(N)CC1
InChIInChI=1S/C9H16N4.2ClH/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;;/h6-8H,2-5,10H2,1H3;2*1H
InChIKeyXEWPWGYZFASKOZ-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.64
Rot. Bonds1

About 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride

4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride (PubChem CID 155822918) has the molecular formula C9H18Cl2N4 and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride
PubChem CID155822918
Molecular FormulaC9H18Cl2N4
Molecular Weight253.18 g/mol
Exact Mass252.09
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCC(N)CC1
InChIInChI=1S/C9H16N4.2ClH/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;;/h6-8H,2-5,10H2,1H3;2*1H
InChIKeyXEWPWGYZFASKOZ-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride (CID 155822918) is 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride is Cl.Cl.Cn1cnnc1C1CCC(N)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride?
The InChIKey is XEWPWGYZFASKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2ClH/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7;;/h6-8H,2-5,10H2,1H3;2*1H.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride?
4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride has a molecular weight of 253.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 155822918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).