5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

C12H17N5 — CID 80681081

IUPAC5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2cnn(C)c2)c(N)c1
InChIInChI=1S/C12H17N5/c1-9-5-11(13)12(15-6-9)14-4-3-10-7-16-17(2)8-10/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVNEZFZWSWKHKRY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds4

About 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (PubChem CID 80681081) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
PubChem CID80681081
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCc1cnc(NCCc2cnn(C)c2)c(N)c1
InChIInChI=1S/C12H17N5/c1-9-5-11(13)12(15-6-9)14-4-3-10-7-16-17(2)8-10/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVNEZFZWSWKHKRY-UHFFFAOYSA-N
XLogP1.36
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 81131882
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80688948
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 114836017
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (CID 80681081) is 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is Cc1cnc(NCCc2cnn(C)c2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is VNEZFZWSWKHKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-5-11(13)12(15-6-9)14-4-3-10-7-16-17(2)8-10/h5-8H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 80681081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).