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

C11H14ClN5 — CID 6610512

IUPAC5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine
SMILESCCCC(Nc1ccc(Cl)cn1)n1cncn1
InChIInChI=1S/C11H14ClN5/c1-2-3-11(17-8-13-7-15-17)16-10-5-4-9(12)6-14-10/h4-8,11H,2-3H2,1H3,(H,14,16)
InChIKeyJPMLTQRBIMQHMP-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.74
Rot. Bonds5

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

5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine (PubChem CID 6610512) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine
PubChem CID6610512
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine
SMILESCCCC(Nc1ccc(Cl)cn1)n1cncn1
InChIInChI=1S/C11H14ClN5/c1-2-3-11(17-8-13-7-15-17)16-10-5-4-9(12)6-14-10/h4-8,11H,2-3H2,1H3,(H,14,16)
InChIKeyJPMLTQRBIMQHMP-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine (CID 6610512) is 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine is CCCC(Nc1ccc(Cl)cn1)n1cncn1.
What is the InChIKey of 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine?
The InChIKey is JPMLTQRBIMQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-2-3-11(17-8-13-7-15-17)16-10-5-4-9(12)6-14-10/h4-8,11H,2-3H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine?
5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,2,4-triazol-1-yl)butyl]pyridin-2-amine is sourced from PubChem (CID 6610512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).