7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H17N5O — CID 3906266

IUPAC7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3CCCc4ccccc43)nn12
InChIInChI=1S/C17H17N5O/c1-11-9-10-18-17-20-15(21-22(11)17)16(23)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,23)
InChIKeyGYMKDBPAFLRVNR-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.24
Rot. Bonds2

About 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3906266) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3906266
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NC3CCCc4ccccc43)nn12
InChIInChI=1S/C17H17N5O/c1-11-9-10-18-17-20-15(21-22(11)17)16(23)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,23)
InChIKeyGYMKDBPAFLRVNR-UHFFFAOYSA-N
XLogP2.24
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 3906266) is 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC3CCCc4ccccc43)nn12.
What is the InChIKey of 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GYMKDBPAFLRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-9-10-18-17-20-15(21-22(11)17)16(23)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3,(H,19,23).
What are the key properties of 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3906266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).