N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine

C10H18N4 — CID 64545973

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
SMILESc1n[nH]c(CCNC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-9(5-3-1)11-7-6-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyBWAZKXJLUOWHIW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine (PubChem CID 64545973) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
PubChem CID64545973
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
SMILESc1n[nH]c(CCNC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-9(5-3-1)11-7-6-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyBWAZKXJLUOWHIW-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853646
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 64547156
3,4-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexan-1-amine
CID 64745827
N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
CID 64531690
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexan-1-amine
CID 64750854
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 81321368
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrolidin-3-amine
CID 64547694
3-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 103561977
1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 131960676
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine (CID 64545973) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine is c1n[nH]c(CCNC2CCCCC2)n1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine?
The InChIKey is BWAZKXJLUOWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-4-9(5-3-1)11-7-6-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine has a molecular weight of 194.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 64545973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).