N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C16H19N5 — CID 43782808

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1ccc(-n2cncn2)nc1)C1CC2C=CC1C2
InChIInChI=1S/C16H19N5/c1-11(15-7-12-2-3-13(15)6-12)20-14-4-5-16(18-8-14)21-10-17-9-19-21/h2-5,8-13,15,20H,6-7H2,1H3
InChIKeyXJIXBXGJPGELQI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43782808) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43782808
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(Nc1ccc(-n2cncn2)nc1)C1CC2C=CC1C2
InChIInChI=1S/C16H19N5/c1-11(15-7-12-2-3-13(15)6-12)20-14-4-5-16(18-8-14)21-10-17-9-19-21/h2-5,8-13,15,20H,6-7H2,1H3
InChIKeyXJIXBXGJPGELQI-UHFFFAOYSA-N
XLogP2.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43783964
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782804
N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62708772
N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691593
N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 64917769
N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691613
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]azepan-4-amine
CID 103981155
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-(2-bicyclo[2.2.1]heptanyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61310336
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-(1-propylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691551

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43782808) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(Nc1ccc(-n2cncn2)nc1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is XJIXBXGJPGELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(15-7-12-2-3-13(15)6-12)20-14-4-5-16(18-8-14)21-10-17-9-19-21/h2-5,8-13,15,20H,6-7H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 281.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43782808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).