2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol

C9H13N7O — CID 80778918

IUPAC2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C9H13N7O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H3,10,12,13,14,15)
InChIKeyJRVWOBBAHPHWLC-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.57
Rot. Bonds4

About 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol

2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 80778918) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID80778918
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C9H13N7O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H3,10,12,13,14,15)
InChIKeyJRVWOBBAHPHWLC-UHFFFAOYSA-N
XLogP-0.57
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 80778918) is 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is CC(CO)Nc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is JRVWOBBAHPHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H3,10,12,13,14,15).
What are the key properties of 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 235.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 80778918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).