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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Related Compounds

6-methylquinazoline-2-carbohydrazide;dihydrochloride
CID 89487244
2H-phthalazin-1-one;5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
CID 71118294
5-formylpyrimidine-2-carbohydrazide
CID 173117486
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
CID 174832264
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
1H-indole-4-carbohydrazide
CID 43316644
5H-pyrrolo[2,3-b]pyrazin-2-ylmethanamine
CID 67361463
butyl 7H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
CID 141357362
1-phenyl-3-pyridin-4-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
CID 69025976
1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
CID 137499260
5H-pyrrolo[2,3-b]pyrazin-2-ylurea
CID 67385138

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).