1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine

C16H29N5 — CID 102906820

IUPAC1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CC(C(C)C)C(C)C
InChIInChI=1S/C16H29N5/c1-7-8-13-14-15(20(6)19-13)21(16(17)18-14)9-12(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H2,17,18)
InChIKeyHKQWNCRJPSWMIM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds6

About 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine

1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 102906820) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID102906820
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2CC(C(C)C)C(C)C
InChIInChI=1S/C16H29N5/c1-7-8-13-14-15(20(6)19-13)21(16(17)18-14)9-12(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H2,17,18)
InChIKeyHKQWNCRJPSWMIM-UHFFFAOYSA-N
XLogP3.23
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 102906820) is 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2CC(C(C)C)C(C)C.
What is the InChIKey of 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is HKQWNCRJPSWMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-8-13-14-15(20(6)19-13)21(16(17)18-14)9-12(10(2)3)11(4)5/h10-12H,7-9H2,1-6H3,(H2,17,18).
What are the key properties of 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine?
1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 291.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 102906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).