1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

C10H9N7OS — CID 103335990

IUPAC1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1
InChIInChI=1S/C10H9N7OS/c11-7(18)6-1-3-17(16-6)8-5-2-4-19-9(5)14-10(13-8)15-12/h1-4H,12H2,(H2,11,18)(H,13,14,15)
InChIKeyKCFVWGSXDFSHSM-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.26
Rot. Bonds3

About 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide

1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 103335990) has the molecular formula C10H9N7OS and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID103335990
Molecular FormulaC10H9N7OS
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1
InChIInChI=1S/C10H9N7OS/c11-7(18)6-1-3-17(16-6)8-5-2-4-19-9(5)14-10(13-8)15-12/h1-4H,12H2,(H2,11,18)(H,13,14,15)
InChIKeyKCFVWGSXDFSHSM-UHFFFAOYSA-N
XLogP0.26
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 103331176
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
[4-(1-oxo-1,4-thiazinan-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332909
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782872
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
[4-(3,4,5-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335844
1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103335921
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
CID 103322828
[4-(2,2-dimethylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335812
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide (CID 103335990) is 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide is NNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1.
What is the InChIKey of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is KCFVWGSXDFSHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7OS/c11-7(18)6-1-3-17(16-6)8-5-2-4-19-9(5)14-10(13-8)15-12/h1-4H,12H2,(H2,11,18)(H,13,14,15).
What are the key properties of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide?
1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 103335990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).