6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

C15H28N6 — CID 79279593

IUPAC6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCN(C(C)C)C(C)C
InChIInChI=1S/C15H28N6/c1-7-12-13-14(19(6)18-12)21(15(16)17-13)9-8-20(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3,(H2,16,17)
InChIKeyBRFPRDPBGYJHFJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.03
Rot. Bonds6

About 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine

6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79279593) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79279593
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCN(C(C)C)C(C)C
InChIInChI=1S/C15H28N6/c1-7-12-13-14(19(6)18-12)21(15(16)17-13)9-8-20(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3,(H2,16,17)
InChIKeyBRFPRDPBGYJHFJ-UHFFFAOYSA-N
XLogP2.03
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 79279593) is 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCN(C(C)C)C(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is BRFPRDPBGYJHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-7-12-13-14(19(6)18-12)21(15(16)17-13)9-8-20(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3,(H2,16,17).
What are the key properties of 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine?
6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 292.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79279593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).