N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C10H13ClN4 — CID 65029049

IUPACN-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC(C)CCl)n2ncnc2c1
InChIInChI=1S/C10H13ClN4/c1-7-3-9-12-6-13-15(9)10(4-7)14-8(2)5-11/h3-4,6,8,14H,5H2,1-2H3
InChIKeyRIRZXBIXEQBBKH-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.08
Rot. Bonds3

About N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 65029049) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID65029049
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC NameN-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC(C)CCl)n2ncnc2c1
InChIInChI=1S/C10H13ClN4/c1-7-3-9-12-6-13-15(9)10(4-7)14-8(2)5-11/h3-4,6,8,14H,5H2,1-2H3
InChIKeyRIRZXBIXEQBBKH-UHFFFAOYSA-N
XLogP2.08
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113238897
N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 115744765
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62046630
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 106286878
7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43433068
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
7-methyl-N-(1-piperidin-3-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62045875

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 65029049) is N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NC(C)CCl)n2ncnc2c1.
What is the InChIKey of N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is RIRZXBIXEQBBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7-3-9-12-6-13-15(9)10(4-7)14-8(2)5-11/h3-4,6,8,14H,5H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 224.69 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 65029049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).