3-methyl-2H-pyridine-2,3,5-triamine

C6H12N4 — CID 67781597

IUPAC3-methyl-2H-pyridine-2,3,5-triamine
SMILESCC1(N)C=C(N)C=NC1N
InChIInChI=1S/C6H12N4/c1-6(9)2-4(7)3-10-5(6)8/h2-3,5H,7-9H2,1H3
InChIKeyDLNDHBCXELLLQE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-1.08
Rot. Bonds

About 3-methyl-2H-pyridine-2,3,5-triamine

3-methyl-2H-pyridine-2,3,5-triamine (PubChem CID 67781597) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-methyl-2H-pyridine-2,3,5-triamine.

Molecular Properties

Compound Name3-methyl-2H-pyridine-2,3,5-triamine
PubChem CID67781597
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-methyl-2H-pyridine-2,3,5-triamine
SMILESCC1(N)C=C(N)C=NC1N
InChIInChI=1S/C6H12N4/c1-6(9)2-4(7)3-10-5(6)8/h2-3,5H,7-9H2,1H3
InChIKeyDLNDHBCXELLLQE-UHFFFAOYSA-N
XLogP-1.08
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

M-methylpyridin-3,4-diamine
CID 66724566
3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride
CID 67781596
2H-pyridine-2,4,5,5-tetramine
CID 67893116
3-Methyl-2,3-dihydropyridin-5-amine
CID 147313366
2-(Methylideneamino)-2,3-dihydropyridin-5-amine
CID 147720958
3-methyl-2H-pyridine-2,3-diamine
CID 154105183
(Z,2R)-5-methyliminopent-3-ene-2,3-diamine
CID 155354245
(2R)-5-methyliminopent-3-ene-2,3-diamine
CID 165110355
5-Methylazepine-3,4,5-triamine
CID 166909681
(Z)-5-methyliminopent-3-ene-2,3-diamine
CID 168886766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyridine-2,3,5-triamine?
The IUPAC name of 3-methyl-2H-pyridine-2,3,5-triamine (CID 67781597) is 3-methyl-2H-pyridine-2,3,5-triamine.
What is the SMILES notation for 3-methyl-2H-pyridine-2,3,5-triamine?
The canonical SMILES for 3-methyl-2H-pyridine-2,3,5-triamine is CC1(N)C=C(N)C=NC1N.
What is the InChIKey of 3-methyl-2H-pyridine-2,3,5-triamine?
The InChIKey is DLNDHBCXELLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(9)2-4(7)3-10-5(6)8/h2-3,5H,7-9H2,1H3.
What are the key properties of 3-methyl-2H-pyridine-2,3,5-triamine?
3-methyl-2H-pyridine-2,3,5-triamine has a molecular weight of 140.19 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyridine-2,3,5-triamine is sourced from PubChem (CID 67781597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).