5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C12H18N6S — CID 70738470

IUPAC5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cc3n(n2)CCNC3)s1
InChIInChI=1S/C12H18N6S/c1-8(2)11-15-16-12(19-11)14-6-9-5-10-7-13-3-4-18(10)17-9/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyFJDVQSZHTHPXMG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.57
Rot. Bonds4

About 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 70738470) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID70738470
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cc3n(n2)CCNC3)s1
InChIInChI=1S/C12H18N6S/c1-8(2)11-15-16-12(19-11)14-6-9-5-10-7-13-3-4-18(10)17-9/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyFJDVQSZHTHPXMG-UHFFFAOYSA-N
XLogP1.57
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 70738470) is 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCc2cc3n(n2)CCNC3)s1.
What is the InChIKey of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FJDVQSZHTHPXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-8(2)11-15-16-12(19-11)14-6-9-5-10-7-13-3-4-18(10)17-9/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 70738470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).