1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C17H27N7O — CID 75389088

IUPAC1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCc1nn(C)c(CC)c1CNC(=O)NC1CCc2nc(C)nn2C1
InChIInChI=1S/C17H27N7O/c1-5-14-13(15(6-2)23(4)22-14)9-18-17(25)20-12-7-8-16-19-11(3)21-24(16)10-12/h12H,5-10H2,1-4H3,(H2,18,20,25)
InChIKeyLIQDQFTUXIVAPJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.26
Rot. Bonds5

About 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 75389088) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID75389088
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCc1nn(C)c(CC)c1CNC(=O)NC1CCc2nc(C)nn2C1
InChIInChI=1S/C17H27N7O/c1-5-14-13(15(6-2)23(4)22-14)9-18-17(25)20-12-7-8-16-19-11(3)21-24(16)10-12/h12H,5-10H2,1-4H3,(H2,18,20,25)
InChIKeyLIQDQFTUXIVAPJ-UHFFFAOYSA-N
XLogP1.26
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 75389088) is 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is CCc1nn(C)c(CC)c1CNC(=O)NC1CCc2nc(C)nn2C1.
What is the InChIKey of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is LIQDQFTUXIVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-5-14-13(15(6-2)23(4)22-14)9-18-17(25)20-12-7-8-16-19-11(3)21-24(16)10-12/h12H,5-10H2,1-4H3,(H2,18,20,25).
What are the key properties of 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 345.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 75389088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).