1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one

C16H24N6O — CID 91909445

IUPAC1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCCn1cnnc1-c1nn(C)c2c1CN(C(=O)CC(C)C)CC2
InChIInChI=1S/C16H24N6O/c1-5-21-10-17-18-16(21)15-12-9-22(14(23)8-11(2)3)7-6-13(12)20(4)19-15/h10-11H,5-9H2,1-4H3
InChIKeyANSZCCYZOBROKH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.63
Rot. Bonds4

About 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one

1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one (PubChem CID 91909445) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
PubChem CID91909445
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one
SMILESCCn1cnnc1-c1nn(C)c2c1CN(C(=O)CC(C)C)CC2
InChIInChI=1S/C16H24N6O/c1-5-21-10-17-18-16(21)15-12-9-22(14(23)8-11(2)3)7-6-13(12)20(4)19-15/h10-11H,5-9H2,1-4H3
InChIKeyANSZCCYZOBROKH-UHFFFAOYSA-N
XLogP1.63
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one (CID 91909445) is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one is CCn1cnnc1-c1nn(C)c2c1CN(C(=O)CC(C)C)CC2.
What is the InChIKey of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
The InChIKey is ANSZCCYZOBROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-21-10-17-18-16(21)15-12-9-22(14(23)8-11(2)3)7-6-13(12)20(4)19-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one?
1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methylbutan-1-one is sourced from PubChem (CID 91909445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).