3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

C12H17N5 — CID 81246090

IUPAC3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ccncc1CN
InChIInChI=1S/C12H17N5/c1-16(8-10-6-15-17(2)9-10)12-3-4-14-7-11(12)5-13/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyLVASGPUDGOIBKJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.91
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (PubChem CID 81246090) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
PubChem CID81246090
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ccncc1CN
InChIInChI=1S/C12H17N5/c1-16(8-10-6-15-17(2)9-10)12-3-4-14-7-11(12)5-13/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyLVASGPUDGOIBKJ-UHFFFAOYSA-N
XLogP0.91
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-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

4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
CID 103137557
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186
2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 107105590
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 81246543

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (CID 81246090) is 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is CN(Cc1cnn(C)c1)c1ccncc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is LVASGPUDGOIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(8-10-6-15-17(2)9-10)12-3-4-14-7-11(12)5-13/h3-4,6-7,9H,5,8,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 81246090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).