3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H26N6O — CID 134075626

IUPAC3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nnc(C3CN(CC4CC4)CCN3C)n2c1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)14-6-7-16-19-20-17(24(16)11-14)15-12-23(9-8-22(15)3)10-13-4-5-13/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3
InChIKeySQTFOALXQZWXGF-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.13
Rot. Bonds4

About 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134075626) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134075626
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)c1ccc2nnc(C3CN(CC4CC4)CCN3C)n2c1
InChIInChI=1S/C18H26N6O/c1-21(2)18(25)14-6-7-16-19-20-17(24(16)11-14)15-12-23(9-8-22(15)3)10-13-4-5-13/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3
InChIKeySQTFOALXQZWXGF-UHFFFAOYSA-N
XLogP1.13
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448794
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068892
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068897
3-[(2S)-4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 98776715
N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131660737
N-benzyl-3-[(2R)-4-benzyl-1-methylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448640
[3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 131640031
3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448785
3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657567
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
3-[(2R)-4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448801
[3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-methylpiperazin-1-yl)methanone;tris(2,2,2-trifluoroacetic acid)
CID 155838538

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134075626) is 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)C(=O)c1ccc2nnc(C3CN(CC4CC4)CCN3C)n2c1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SQTFOALXQZWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-21(2)18(25)14-6-7-16-19-20-17(24(16)11-14)15-12-23(9-8-22(15)3)10-13-4-5-13/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134075626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).