1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide

C12H13N7OS — CID 103335986

IUPAC1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1cc2c(-n3cc(C(N)=O)cn3)nc(NN)nc2s1
InChIInChI=1S/C12H13N7OS/c1-2-7-3-8-10(16-12(18-14)17-11(8)21-7)19-5-6(4-15-19)9(13)20/h3-5H,2,14H2,1H3,(H2,13,20)(H,16,17,18)
InChIKeyRBFZLANWSBPNSC-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.82
Rot. Bonds4

About 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide

1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 103335986) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID103335986
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1cc2c(-n3cc(C(N)=O)cn3)nc(NN)nc2s1
InChIInChI=1S/C12H13N7OS/c1-2-7-3-8-10(16-12(18-14)17-11(8)21-7)19-5-6(4-15-19)9(13)20/h3-5H,2,14H2,1H3,(H2,13,20)(H,16,17,18)
InChIKeyRBFZLANWSBPNSC-UHFFFAOYSA-N
XLogP0.82
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.82
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-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103331015
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 103333919
[4-(3,4-dimethylpyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334491
[4-(2,5-dimethylmorpholin-4-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332305
[6-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335947
4-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-2-one
CID 103333694
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103332524
[6-ethyl-4-(3-ethylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332405
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 103333589
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide (CID 103335986) is 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide is CCc1cc2c(-n3cc(C(N)=O)cn3)nc(NN)nc2s1.
What is the InChIKey of 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is RBFZLANWSBPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-2-7-3-8-10(16-12(18-14)17-11(8)21-7)19-5-6(4-15-19)9(13)20/h3-5H,2,14H2,1H3,(H2,13,20)(H,16,17,18).
What are the key properties of 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide?
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 103335986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).