N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H22ClN5 — CID 106620478

IUPACN-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C15H22ClN5/c1-2-3-9-20(11-13-5-4-8-17-13)15-18-14-7-6-12(16)10-21(14)19-15/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyMKKDYAMHSJJORT-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.74
Rot. Bonds6

About N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106620478) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106620478
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC NameN-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C15H22ClN5/c1-2-3-9-20(11-13-5-4-8-17-13)15-18-14-7-6-12(16)10-21(14)19-15/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyMKKDYAMHSJJORT-UHFFFAOYSA-N
XLogP2.74
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106619859
6-methyl-N-(piperidin-2-ylmethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106642550
6-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106621123
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106641947
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621453
N-methyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106618496
N-butyl-1-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 106620287
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106620446

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106620478) is N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCCCN(CC1CCCN1)c1nc2ccc(Cl)cn2n1.
What is the InChIKey of N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MKKDYAMHSJJORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-2-3-9-20(11-13-5-4-8-17-13)15-18-14-7-6-12(16)10-21(14)19-15/h6-7,10,13,17H,2-5,8-9,11H2,1H3.
What are the key properties of N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 307.83 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106620478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).