(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea

C8H8N6OS — CID 103123485

IUPAC(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cnn2ccncc12
InChIInChI=1S/C8H8N6OS/c9-8(16)13-12-7(15)5-3-11-14-2-1-10-4-6(5)14/h1-4H,(H,12,15)(H3,9,13,16)
InChIKeyASUQPHUEQLNQTR-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.79
Rot. Bonds1

About (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea

(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea (PubChem CID 103123485) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea.

Molecular Properties

Compound Name(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
PubChem CID103123485
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cnn2ccncc12
InChIInChI=1S/C8H8N6OS/c9-8(16)13-12-7(15)5-3-11-14-2-1-10-4-6(5)14/h1-4H,(H,12,15)(H3,9,13,16)
InChIKeyASUQPHUEQLNQTR-UHFFFAOYSA-N
XLogP-0.79
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117901
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-(2-carbamothioylcyclopentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103117980
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
N-[(1R,2R)-2-aminocyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121138
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120573

Frequently Asked Questions

What is the IUPAC name of (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea?
The IUPAC name of (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea (CID 103123485) is (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea.
What is the SMILES notation for (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea?
The canonical SMILES for (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea is NC(=S)NNC(=O)c1cnn2ccncc12.
What is the InChIKey of (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea?
The InChIKey is ASUQPHUEQLNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-8(16)13-12-7(15)5-3-11-14-2-1-10-4-6(5)14/h1-4H,(H,12,15)(H3,9,13,16).
What are the key properties of (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea?
(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea has a molecular weight of 236.26 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea is sourced from PubChem (CID 103123485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).