N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C14H21ClN4 — CID 106286878

IUPACN-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCC(CC)C(Cl)CNc1cc(C)cc2ncnn12
InChIInChI=1S/C14H21ClN4/c1-4-11(5-2)12(15)8-16-13-6-10(3)7-14-17-9-18-19(13)14/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyCGQMXDCBGZBMSA-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.49
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 106286878) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID106286878
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCC(CC)C(Cl)CNc1cc(C)cc2ncnn12
InChIInChI=1S/C14H21ClN4/c1-4-11(5-2)12(15)8-16-13-6-10(3)7-14-17-9-18-19(13)14/h6-7,9,11-12,16H,4-5,8H2,1-3H3
InChIKeyCGQMXDCBGZBMSA-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.49
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

N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
2-methyl-1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentan-2-ol
CID 113234752
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]-1-phenylethanol
CID 43232822
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
N-hexan-3-yl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62046630
N-(1-chloropropan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65029049
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 106286878) is N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CCC(CC)C(Cl)CNc1cc(C)cc2ncnn12.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is CGQMXDCBGZBMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-4-11(5-2)12(15)8-16-13-6-10(3)7-14-17-9-18-19(13)14/h6-7,9,11-12,16H,4-5,8H2,1-3H3.
What are the key properties of N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 280.80 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 106286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).