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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Related Compounds

N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 778503
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
3-Amino-5-(2-(ethylamino)-4-pyridyl)-1,2,4-triazole
CID 131769
N-(2-chloro-phenyl)-1-pyridin-2-yl-1H-[1,2,4]triazole-3,5-diamine
CID 56595688
6-[5-Amino-3-(2-chloro-phenylamino)-[1,2,4]triazol-1-yl]-nicotinonitrile
CID 56595691
5-chloro-N-methylpyridin-2-amine
CID 3837024
5-Chloranyl-~{n}-(4-Chlorophenyl)-2-(3,5-Dimethylpyrazol-1-Yl)pyrimidin-4-Amine
CID 11853273
N-(5-Chloro-2-pyridinyl)-2-[(4-methyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
CID 672455
N'-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanimidamide
CID 9581804
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 118730398

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).