5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide

C7H7N5O — CID 171975339

IUPAC5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc2[nH]ccc2n1
InChIInChI=1S/C7H7N5O/c8-12-7(13)6-10-3-5-4(11-6)1-2-9-5/h1-3,9H,8H2,(H,12,13)
InChIKeySCUIMOHUTWTPSK-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.44
Rot. Bonds1

About 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide

5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide (PubChem CID 171975339) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide
PubChem CID171975339
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc2[nH]ccc2n1
InChIInChI=1S/C7H7N5O/c8-12-7(13)6-10-3-5-4(11-6)1-2-9-5/h1-3,9H,8H2,(H,12,13)
InChIKeySCUIMOHUTWTPSK-UHFFFAOYSA-N
XLogP-0.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide?
The IUPAC name of 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide (CID 171975339) is 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide.
What is the SMILES notation for 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide?
The canonical SMILES for 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide is NNC(=O)c1ncc2[nH]ccc2n1.
What is the InChIKey of 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide?
The InChIKey is SCUIMOHUTWTPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-12-7(13)6-10-3-5-4(11-6)1-2-9-5/h1-3,9H,8H2,(H,12,13).
What are the key properties of 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide?
5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide has a molecular weight of 177.17 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 171975339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).