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

C11H16N6 — CID 79827181

IUPAC6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c(N)n1
InChIInChI=1S/C11H16N6/c1-16(6-8-5-14-17(2)7-8)10-4-3-9(12)11(13)15-10/h3-5,7H,6,12H2,1-2H3,(H2,13,15)
InChIKeyGECZUTAAXGKNPW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.62
Rot. Bonds3

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

6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine (PubChem CID 79827181) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
PubChem CID79827181
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
SMILESCN(Cc1cnn(C)c1)c1ccc(N)c(N)n1
InChIInChI=1S/C11H16N6/c1-16(6-8-5-14-17(2)7-8)10-4-3-9(12)11(13)15-10/h3-5,7H,6,12H2,1-2H3,(H2,13,15)
InChIKeyGECZUTAAXGKNPW-UHFFFAOYSA-N
XLogP0.62
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 61438723
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
CID 103137557
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
CID 61440138
2-[2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]acetonitrile
CID 102624011
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
CID 79826659
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine (CID 79827181) is 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine is CN(Cc1cnn(C)c1)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
The InChIKey is GECZUTAAXGKNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16(6-8-5-14-17(2)7-8)10-4-3-9(12)11(13)15-10/h3-5,7H,6,12H2,1-2H3,(H2,13,15).
What are the key properties of 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine?
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79827181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).