4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine

C17H24N4 — CID 65083101

IUPAC4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C17H24N4/c1-2-14-4-3-5-15(7-6-14)20-16-8-10-17(11-9-16)21-13-18-12-19-21/h8-15,20H,2-7H2,1H3
InChIKeyTWXSMYCCNDUUTO-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.04
Rot. Bonds4

About 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine

4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine (PubChem CID 65083101) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
PubChem CID65083101
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
SMILESCCC1CCCC(Nc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C17H24N4/c1-2-14-4-3-5-15(7-6-14)20-16-8-10-17(11-9-16)21-13-18-12-19-21/h8-15,20H,2-7H2,1H3
InChIKeyTWXSMYCCNDUUTO-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
CID 54862655
N-[4-(1,2,4-triazol-1-yl)phenyl]cyclooctanamine
CID 60927914
4-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1,4-diamine
CID 79730964
N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862721
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
1-ethyl-N-(4-ethylcycloheptyl)pyrazol-4-amine
CID 65083881
2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine (CID 65083101) is 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine is CCC1CCCC(Nc2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine?
The InChIKey is TWXSMYCCNDUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-14-4-3-5-15(7-6-14)20-16-8-10-17(11-9-16)21-13-18-12-19-21/h8-15,20H,2-7H2,1H3.
What are the key properties of 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine?
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine is sourced from PubChem (CID 65083101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).