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

C11H16N6 — CID 80680913

IUPAC6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
SMILESCn1cc(CCNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C11H16N6/c1-17-7-8(6-15-17)4-5-14-10-3-2-9(12)11(13)16-10/h2-3,6-7H,4-5,12H2,1H3,(H3,13,14,16)
InChIKeyKMGBQBNWSFWBFR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.63
Rot. Bonds4

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

6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine (PubChem CID 80680913) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
PubChem CID80680913
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
SMILESCn1cc(CCNc2ccc(N)c(N)n2)cn1
InChIInChI=1S/C11H16N6/c1-17-7-8(6-15-17)4-5-14-10-3-2-9(12)11(13)16-10/h2-3,6-7H,4-5,12H2,1H3,(H3,13,14,16)
InChIKeyKMGBQBNWSFWBFR-UHFFFAOYSA-N
XLogP0.63
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-(cyclopropylmethoxy)-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 80685641
6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 81131882
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
6-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3,6-triamine
CID 79826230
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzoic acid
CID 112579297

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine (CID 80680913) is 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine is Cn1cc(CCNc2ccc(N)c(N)n2)cn1.
What is the InChIKey of 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is KMGBQBNWSFWBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17-7-8(6-15-17)4-5-14-10-3-2-9(12)11(13)16-10/h2-3,6-7H,4-5,12H2,1H3,(H3,13,14,16).
What are the key properties of 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine?
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 232.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 80680913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).