5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride

C8H17Cl2N5 — CID 167739892

IUPAC5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
SMILESCl.Cl.Nc1n[nH]c(C2CCC(N)CC2)n1
InChIInChI=1S/C8H15N5.2ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;;/h5-6H,1-4,9H2,(H3,10,11,12,13);2*1H
InChIKeyLKSPUIKKPFTJAT-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.22
Rot. Bonds1

About 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride

5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride (PubChem CID 167739892) has the molecular formula C8H17Cl2N5 and a molecular weight of 254.16 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
PubChem CID167739892
Molecular FormulaC8H17Cl2N5
Molecular Weight254.16 g/mol
Exact Mass253.09
IUPAC Name5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
SMILESCl.Cl.Nc1n[nH]c(C2CCC(N)CC2)n1
InChIInChI=1S/C8H15N5.2ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;;/h5-6H,1-4,9H2,(H3,10,11,12,13);2*1H
InChIKeyLKSPUIKKPFTJAT-UHFFFAOYSA-N
XLogP1.22
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 3162005
3-(4-aminocyclohexyl)-1H-1,2,4-triazol-5-amine
CID 61319568
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61336802
rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
5-Cyclohexylmethyl-1H-[1,2,4]triazol-3-ylamine
CID 5204120
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
CID 166140708
3-chloro-5-cyclohexyl-1H-1,2,4-triazole
CID 52897319
1-[4-(5-Cyclopropyl-4h-1,2,4-triazol-3-yl)cyclo-hexyl]methanamine hydrochloride
CID 129748817
4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 154784190
5-heptan-3-yl-1H-1,2,4-triazol-3-amine
CID 4267528

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride?
The IUPAC name of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride (CID 167739892) is 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride.
What is the SMILES notation for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride?
The canonical SMILES for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride is Cl.Cl.Nc1n[nH]c(C2CCC(N)CC2)n1.
What is the InChIKey of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride?
The InChIKey is LKSPUIKKPFTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5.2ClH/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7;;/h5-6H,1-4,9H2,(H3,10,11,12,13);2*1H.
What are the key properties of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride?
5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride is sourced from PubChem (CID 167739892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).