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

C13H17N5 — CID 54906609

IUPACN-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1ncn(-c2ccc(NC3CCNCC3)cc2)n1
InChIInChI=1S/C13H17N5/c1-3-13(18-10-15-9-16-18)4-2-11(1)17-12-5-7-14-8-6-12/h1-4,9-10,12,14,17H,5-8H2
InChIKeyDQHOQFLGEJFSRF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.43
Rot. Bonds3

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

N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 54906609) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
PubChem CID54906609
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1ncn(-c2ccc(NC3CCNCC3)cc2)n1
InChIInChI=1S/C13H17N5/c1-3-13(18-10-15-9-16-18)4-2-11(1)17-12-5-7-14-8-6-12/h1-4,9-10,12,14,17H,5-8H2
InChIKeyDQHOQFLGEJFSRF-UHFFFAOYSA-N
XLogP1.43
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]azepan-4-amine
CID 103981155
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119271886
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
N-(piperidin-4-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 120852140

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine (CID 54906609) is N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine is c1ncn(-c2ccc(NC3CCNCC3)cc2)n1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is DQHOQFLGEJFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-13(18-10-15-9-16-18)4-2-11(1)17-12-5-7-14-8-6-12/h1-4,9-10,12,14,17H,5-8H2.
What are the key properties of N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 54906609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).