4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride

C7H13Cl2N3O — CID 146152711

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride
SMILESCl.Cl.OCC1NCCn2nccc21
InChIInChI=1S/C7H11N3O.2ClH/c11-5-6-7-1-2-9-10(7)4-3-8-6;;/h1-2,6,8,11H,3-5H2;2*1H
InChIKeyKVQRDHJBKRGWGT-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.36
Rot. Bonds1

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride

4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride (PubChem CID 146152711) has the molecular formula C7H13Cl2N3O and a molecular weight of 226.11 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride
PubChem CID146152711
Molecular FormulaC7H13Cl2N3O
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride
SMILESCl.Cl.OCC1NCCn2nccc21
InChIInChI=1S/C7H11N3O.2ClH/c11-5-6-7-1-2-9-10(7)4-3-8-6;;/h1-2,6,8,11H,3-5H2;2*1H
InChIKeyKVQRDHJBKRGWGT-UHFFFAOYSA-N
XLogP0.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride (CID 146152711) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride is Cl.Cl.OCC1NCCn2nccc21.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride?
The InChIKey is KVQRDHJBKRGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2ClH/c11-5-6-7-1-2-9-10(7)4-3-8-6;;/h1-2,6,8,11H,3-5H2;2*1H.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride has a molecular weight of 226.11 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-ylmethanol;dihydrochloride is sourced from PubChem (CID 146152711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).