6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine

C14H15ClN6 — CID 71982303

IUPAC6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCCc2nnc3ccccn23)n1
InChIInChI=1S/C14H15ClN6/c1-10-17-11(15)9-12(18-10)16-7-4-6-14-20-19-13-5-2-3-8-21(13)14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18)
InChIKeyLDDZSBQOEKOFNG-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.53
Rot. Bonds5

About 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine (PubChem CID 71982303) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine
PubChem CID71982303
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCCc2nnc3ccccn23)n1
InChIInChI=1S/C14H15ClN6/c1-10-17-11(15)9-12(18-10)16-7-4-6-14-20-19-13-5-2-3-8-21(13)14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18)
InChIKeyLDDZSBQOEKOFNG-UHFFFAOYSA-N
XLogP2.53
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-pyrrolidin-1-yl-4-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidine-2,4-diamine
CID 50984694
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
2-methyl-1-pentyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111760613
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111761862
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892
1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111760194
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767825
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine (CID 71982303) is 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NCCCc2nnc3ccccn23)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine?
The InChIKey is LDDZSBQOEKOFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-10-17-11(15)9-12(18-10)16-7-4-6-14-20-19-13-5-2-3-8-21(13)14/h2-3,5,8-9H,4,6-7H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine has a molecular weight of 302.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 71982303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).