3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride

C6H12ClN5O — CID 22611126

IUPAC3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride
SMILESCC(C)c1nnc(N)n(N)c1=O.Cl
InChIInChI=1S/C6H11N5O.ClH/c1-3(2)4-5(12)11(8)6(7)10-9-4;/h3H,8H2,1-2H3,(H2,7,10);1H
InChIKeyXNYPBYWQWSZNGU-UHFFFAOYSA-N
MW205.65 g/mol
LogP-0.52
Rot. Bonds1

About 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride

3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride (PubChem CID 22611126) has the molecular formula C6H12ClN5O and a molecular weight of 205.65 g/mol. Its IUPAC name is 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride
PubChem CID22611126
Molecular FormulaC6H12ClN5O
Molecular Weight205.65 g/mol
Exact Mass205.07
IUPAC Name3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride
SMILESCC(C)c1nnc(N)n(N)c1=O.Cl
InChIInChI=1S/C6H11N5O.ClH/c1-3(2)4-5(12)11(8)6(7)10-9-4;/h3H,8H2,1-2H3,(H2,7,10);1H
InChIKeyXNYPBYWQWSZNGU-UHFFFAOYSA-N
XLogP-0.52
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride?
The IUPAC name of 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride (CID 22611126) is 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride is CC(C)c1nnc(N)n(N)c1=O.Cl.
What is the InChIKey of 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is XNYPBYWQWSZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O.ClH/c1-3(2)4-5(12)11(8)6(7)10-9-4;/h3H,8H2,1-2H3,(H2,7,10);1H.
What are the key properties of 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride?
3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride is sourced from PubChem (CID 22611126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).