5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine

C15H14ClN5 — CID 97088603

IUPAC5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)cn1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H14ClN5/c1-11(20-15-7-4-13(16)8-18-15)12-2-5-14(6-3-12)21-10-17-9-19-21/h2-11H,1H3,(H,18,20)/t11-/m0/s1
InChIKeyHAIJCISDNAPQNP-NSHDSACASA-N
MW299.77 g/mol
LogP3.49
Rot. Bonds4

About 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine

5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine (PubChem CID 97088603) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
PubChem CID97088603
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
SMILESC[C@H](Nc1ccc(Cl)cn1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H14ClN5/c1-11(20-15-7-4-13(16)8-18-15)12-2-5-14(6-3-12)21-10-17-9-19-21/h2-11H,1H3,(H,18,20)/t11-/m0/s1
InChIKeyHAIJCISDNAPQNP-NSHDSACASA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 50969096
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166360
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
4-pyridin-4-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-2-amine
CID 72859116
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
CID 78805465
2,5-dichloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814858
5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
CID 97129414
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine (CID 97088603) is 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine is C[C@H](Nc1ccc(Cl)cn1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine?
The InChIKey is HAIJCISDNAPQNP-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClN5/c1-11(20-15-7-4-13(16)8-18-15)12-2-5-14(6-3-12)21-10-17-9-19-21/h2-11H,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine?
5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 97088603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).