N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H18N4 — CID 104731641

IUPACN-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)C(C)CNc1nccn2nccc12
InChIInChI=1S/C12H18N4/c1-9(2)10(3)8-14-12-11-4-5-15-16(11)7-6-13-12/h4-7,9-10H,8H2,1-3H3,(H,13,14)
InChIKeyLECGVLGFKRQQOI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.43
Rot. Bonds4

About N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731641) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731641
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)C(C)CNc1nccn2nccc12
InChIInChI=1S/C12H18N4/c1-9(2)10(3)8-14-12-11-4-5-15-16(11)7-6-13-12/h4-7,9-10H,8H2,1-3H3,(H,13,14)
InChIKeyLECGVLGFKRQQOI-UHFFFAOYSA-N
XLogP2.43
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731641) is N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)C(C)CNc1nccn2nccc12.
What is the InChIKey of N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is LECGVLGFKRQQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)10(3)8-14-12-11-4-5-15-16(11)7-6-13-12/h4-7,9-10H,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).