6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine

C10H14N6 — CID 79826024

IUPAC6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
SMILESCn1cc(CNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C10H14N6/c1-16-6-7(5-14-16)4-13-9-3-2-8(11)10(12)15-9/h2-3,5-6H,4,11H2,1H3,(H3,12,13,15)
InChIKeyHGOMRSKZZZTEMX-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.59
Rot. Bonds3

About 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine

6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine (PubChem CID 79826024) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
PubChem CID79826024
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
SMILESCn1cc(CNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C10H14N6/c1-16-6-7(5-14-16)4-13-9-3-2-8(11)10(12)15-9/h2-3,5-6H,4,11H2,1H3,(H3,12,13,15)
InChIKeyHGOMRSKZZZTEMX-UHFFFAOYSA-N
XLogP0.59
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
N-[(1-methylpyrazol-4-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78988402
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61350597
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
4-amino-3-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 113444132
1-[2-amino-4-[(1-methylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 104528491

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine (CID 79826024) is 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine is Cn1cc(CNc2ccc(N)c(N)n2)cn1.
What is the InChIKey of 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The InChIKey is HGOMRSKZZZTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16-6-7(5-14-16)4-13-9-3-2-8(11)10(12)15-9/h2-3,5-6H,4,11H2,1H3,(H3,12,13,15).
What are the key properties of 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79826024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).