N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C16H20N8 — CID 146106903

IUPACN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCNc1cc(N2CCCC2CNc2cccc3nncn23)ncn1
InChIInChI=1S/C16H20N8/c1-17-13-8-16(20-10-19-13)23-7-3-4-12(23)9-18-14-5-2-6-15-22-21-11-24(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3,(H,17,19,20)
InChIKeyFQHZGZUPZIOTDW-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.64
Rot. Bonds5

About N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 146106903) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID146106903
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC NameN-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCNc1cc(N2CCCC2CNc2cccc3nncn23)ncn1
InChIInChI=1S/C16H20N8/c1-17-13-8-16(20-10-19-13)23-7-3-4-12(23)9-18-14-5-2-6-15-22-21-11-24(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3,(H,17,19,20)
InChIKeyFQHZGZUPZIOTDW-UHFFFAOYSA-N
XLogP1.64
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine 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

6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
6-methyl-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)pyridazin-3-amine
CID 146088252
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 146106903) is N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is CNc1cc(N2CCCC2CNc2cccc3nncn23)ncn1.
What is the InChIKey of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is FQHZGZUPZIOTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-17-13-8-16(20-10-19-13)23-7-3-4-12(23)9-18-14-5-2-6-15-22-21-11-24(14)15/h2,5-6,8,10-12,18H,3-4,7,9H2,1H3,(H,17,19,20).
What are the key properties of N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 324.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 146106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).