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

C6H13ClN4 — CID 67781596

IUPAC3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride
SMILESCC1(N)C=C(N)C=NC1N.Cl
InChIInChI=1S/C6H12N4.ClH/c1-6(9)2-4(7)3-10-5(6)8;/h2-3,5H,7-9H2,1H3;1H
InChIKeyTWNRWGQAXOYOIM-UHFFFAOYSA-N
MW176.65 g/mol
LogP-0.66
Rot. Bonds

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

3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride (PubChem CID 67781596) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride.

Molecular Properties

Compound Name3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride
PubChem CID67781596
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride
SMILESCC1(N)C=C(N)C=NC1N.Cl
InChIInChI=1S/C6H12N4.ClH/c1-6(9)2-4(7)3-10-5(6)8;/h2-3,5H,7-9H2,1H3;1H
InChIKeyTWNRWGQAXOYOIM-UHFFFAOYSA-N
XLogP-0.66
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride?
The IUPAC name of 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride (CID 67781596) is 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride.
What is the SMILES notation for 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride?
The canonical SMILES for 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride is CC1(N)C=C(N)C=NC1N.Cl.
What is the InChIKey of 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride?
The InChIKey is TWNRWGQAXOYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-6(9)2-4(7)3-10-5(6)8;/h2-3,5H,7-9H2,1H3;1H.
What are the key properties of 3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride?
3-methyl-2H-pyridine-2,3,5-triamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of -0.66, 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;hydrochloride is sourced from PubChem (CID 67781596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).