N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H22N6O — CID 77078750

IUPACN-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1CN1CCCC1)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C19H22N6O/c1-23(18(26)17-21-19-20-9-6-12-25(19)22-17)13-15-7-2-3-8-16(15)14-24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyIUEQTDJKLCCSKB-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77078750) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77078750
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1CN1CCCC1)C(=O)c1nc2ncccn2n1
InChIInChI=1S/C19H22N6O/c1-23(18(26)17-21-19-20-9-6-12-25(19)22-17)13-15-7-2-3-8-16(15)14-24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyIUEQTDJKLCCSKB-UHFFFAOYSA-N
XLogP1.99
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981642
N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 166621002
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 146045481
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
1-[4-methyl-2-[methyl-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone
CID 135113871
N-[(2-methoxyphenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 51294325
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 125159352
N-[2-[4-(dimethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981638
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315682
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 77090196

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 77078750) is N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1CN1CCCC1)C(=O)c1nc2ncccn2n1.
What is the InChIKey of N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IUEQTDJKLCCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23(18(26)17-21-19-20-9-6-12-25(19)22-17)13-15-7-2-3-8-16(15)14-24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3.
What are the key properties of N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77078750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).