6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine

C10H13N5 — CID 103568651

IUPAC6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine
SMILESCn1ccc(NCc2ccc(N)cn2)n1
InChIInChI=1S/C10H13N5/c1-15-5-4-10(14-15)13-7-9-3-2-8(11)6-12-9/h2-6H,7,11H2,1H3,(H,13,14)
InChIKeyVHXLMAQIWQRZJI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.01
Rot. Bonds3

About 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine

6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine (PubChem CID 103568651) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine
PubChem CID103568651
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine
SMILESCn1ccc(NCc2ccc(N)cn2)n1
InChIInChI=1S/C10H13N5/c1-15-5-4-10(14-15)13-7-9-3-2-8(11)6-12-9/h2-6H,7,11H2,1H3,(H,13,14)
InChIKeyVHXLMAQIWQRZJI-UHFFFAOYSA-N
XLogP1.01
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine?
The IUPAC name of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine (CID 103568651) is 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine is Cn1ccc(NCc2ccc(N)cn2)n1.
What is the InChIKey of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine?
The InChIKey is VHXLMAQIWQRZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-5-4-10(14-15)13-7-9-3-2-8(11)6-12-9/h2-6H,7,11H2,1H3,(H,13,14).
What are the key properties of 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine?
6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine has a molecular weight of 203.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 103568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).