(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide

C9H13N5O2 — CID 136828483

IUPAC(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide
SMILESNNC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C9H13N5O2/c10-9-12-6-2-1-4(7(15)14-11)3-5(6)8(16)13-9/h4H,1-3,11H2,(H,14,15)(H3,10,12,13,16)/t4-/m1/s1
InChIKeyTXYRXOJCWMTTEF-SCSAIBSYSA-N
MW223.24 g/mol
LogP-1.55
Rot. Bonds1

About (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide

(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide (PubChem CID 136828483) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide.

Molecular Properties

Compound Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide
PubChem CID136828483
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide
SMILESNNC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C9H13N5O2/c10-9-12-6-2-1-4(7(15)14-11)3-5(6)8(16)13-9/h4H,1-3,11H2,(H,14,15)(H3,10,12,13,16)/t4-/m1/s1
InChIKeyTXYRXOJCWMTTEF-SCSAIBSYSA-N
XLogP-1.55
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide?
The IUPAC name of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide (CID 136828483) is (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide.
What is the SMILES notation for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide?
The canonical SMILES for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide is NNC(=O)[C@@H]1CCc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide?
The InChIKey is TXYRXOJCWMTTEF-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-9-12-6-2-1-4(7(15)14-11)3-5(6)8(16)13-9/h4H,1-3,11H2,(H,14,15)(H3,10,12,13,16)/t4-/m1/s1.
What are the key properties of (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide?
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide has a molecular weight of 223.24 g/mol, XLogP of -1.55, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carbohydrazide is sourced from PubChem (CID 136828483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).