2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol

C6H13N5O — CID 141046532

IUPAC2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol
SMILESNCc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H13N5O/c7-3-4-5(8)6(9)11(10-4)1-2-12/h12H,1-3,7-9H2
InChIKeyRZCPBSXFYIDYJW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.50
Rot. Bonds3

About 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol

2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol (PubChem CID 141046532) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol
PubChem CID141046532
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol
SMILESNCc1nn(CCO)c(N)c1N
InChIInChI=1S/C6H13N5O/c7-3-4-5(8)6(9)11(10-4)1-2-12/h12H,1-3,7-9H2
InChIKeyRZCPBSXFYIDYJW-UHFFFAOYSA-N
XLogP-1.50
TPSA116.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol (CID 141046532) is 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol is NCc1nn(CCO)c(N)c1N.
What is the InChIKey of 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol?
The InChIKey is RZCPBSXFYIDYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c7-3-4-5(8)6(9)11(10-4)1-2-12/h12H,1-3,7-9H2.
What are the key properties of 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol?
2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol has a molecular weight of 171.20 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 141046532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).