2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine

C12H17N5 — CID 113447418

IUPAC2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCN(Cc1cnn(C)c1)Cc1ncccc1N
InChIInChI=1S/C12H17N5/c1-16(7-10-6-15-17(2)8-10)9-12-11(13)4-3-5-14-12/h3-6,8H,7,9,13H2,1-2H3
InChIKeyKBMKASMOFDKUTP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.03
Rot. Bonds4

About 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine (PubChem CID 113447418) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
PubChem CID113447418
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
SMILESCN(Cc1cnn(C)c1)Cc1ncccc1N
InChIInChI=1S/C12H17N5/c1-16(7-10-6-15-17(2)8-10)9-12-11(13)4-3-5-14-12/h3-6,8H,7,9,13H2,1-2H3
InChIKeyKBMKASMOFDKUTP-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
CID 29029305
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447401
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine (CID 113447418) is 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine is CN(Cc1cnn(C)c1)Cc1ncccc1N.
What is the InChIKey of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine?
The InChIKey is KBMKASMOFDKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(7-10-6-15-17(2)8-10)9-12-11(13)4-3-5-14-12/h3-6,8H,7,9,13H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine?
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine has a molecular weight of 231.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine is sourced from PubChem (CID 113447418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).