2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine

C9H15N5 — CID 129153210

IUPAC2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCC1CC(Nc2ccn[nH]2)=C(N)CN1
InChIInChI=1S/C9H15N5/c1-6-4-8(7(10)5-11-6)13-9-2-3-12-14-9/h2-3,6,11H,4-5,10H2,1H3,(H2,12,13,14)
InChIKeyANKMYOCMTLTCOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds2

About 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine

2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine (PubChem CID 129153210) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine
PubChem CID129153210
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCC1CC(Nc2ccn[nH]2)=C(N)CN1
InChIInChI=1S/C9H15N5/c1-6-4-8(7(10)5-11-6)13-9-2-3-12-14-9/h2-3,6,11H,4-5,10H2,1H3,(H2,12,13,14)
InChIKeyANKMYOCMTLTCOL-UHFFFAOYSA-N
XLogP0.37
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine (CID 129153210) is 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine is CC1CC(Nc2ccn[nH]2)=C(N)CN1.
What is the InChIKey of 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine?
The InChIKey is ANKMYOCMTLTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-6-4-8(7(10)5-11-6)13-9-2-3-12-14-9/h2-3,6,11H,4-5,10H2,1H3,(H2,12,13,14).
What are the key properties of 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine?
2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1H-pyrazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine is sourced from PubChem (CID 129153210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).