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

C16H15N9O2 — CID 167747098

IUPACN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1-n1nnnc1C
InChIInChI=1S/C16H15N9O2/c1-9-6-7-17-16-19-14(21-24(9)16)15(26)18-11-4-5-13(27-3)12(8-11)25-10(2)20-22-23-25/h4-8H,1-3H3,(H,18,26)
InChIKeyUIHHZUIBKUWMQQ-UHFFFAOYSA-N
MW365.36 g/mol
LogP0.98
Rot. Bonds4

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

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 167747098) has the molecular formula C16H15N9O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID167747098
Molecular FormulaC16H15N9O2
Molecular Weight365.36 g/mol
Exact Mass365.13
IUPAC NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1-n1nnnc1C
InChIInChI=1S/C16H15N9O2/c1-9-6-7-17-16-19-14(21-24(9)16)15(26)18-11-4-5-13(27-3)12(8-11)25-10(2)20-22-23-25/h4-8H,1-3H3,(H,18,26)
InChIKeyUIHHZUIBKUWMQQ-UHFFFAOYSA-N
XLogP0.98
TPSA125.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 167800736
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 134813277
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 134813273
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
3-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 134813269
7-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31508079
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
2-(2-aminoethyl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120629916

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 167747098) is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1-n1nnnc1C.
What is the InChIKey of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UIHHZUIBKUWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O2/c1-9-6-7-17-16-19-14(21-24(9)16)15(26)18-11-4-5-13(27-3)12(8-11)25-10(2)20-22-23-25/h4-8H,1-3H3,(H,18,26).
What are the key properties of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 167747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).