1-(4-methoxyphenyl)-4-methyltetrazol-5-one

C9H10N4O2 — CID 139194376

IUPAC1-(4-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1ccc(-n2nnn(C)c2=O)cc1
InChIInChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3
InChIKeyCONODWUUNLYDNT-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.03
Rot. Bonds2

About 1-(4-methoxyphenyl)-4-methyltetrazol-5-one

1-(4-methoxyphenyl)-4-methyltetrazol-5-one (PubChem CID 139194376) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methyltetrazol-5-one
PubChem CID139194376
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(4-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1ccc(-n2nnn(C)c2=O)cc1
InChIInChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3
InChIKeyCONODWUUNLYDNT-UHFFFAOYSA-N
XLogP-0.03
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(fluoromethoxy)phenyl]-4-methyltetrazol-5-one
CID 67226759
1,7-bis(4-methoxyphenyl)triazolo[4,5-f]benzotriazole-4,8-dione
CID 139192212
4-(4-methoxyphenyl)-2,5-dimethyl-1,2,4-triazol-3-one
CID 3682674
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
2-(4-methoxyphenyl)-4-[6-[1-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]hexyl]-1,2,4-triazol-3-one
CID 155809416
1-[2-[[1-(4-methoxyphenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 71769204
3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
CID 89432212
4-(2-hydroxyethyl)-2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 23661283
4-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-one
CID 101148539
1,5-bis(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937024
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-methyltetrazol-5-one (CID 139194376) is 1-(4-methoxyphenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methyltetrazol-5-one is COc1ccc(-n2nnn(C)c2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methyltetrazol-5-one?
The InChIKey is CONODWUUNLYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methyltetrazol-5-one?
1-(4-methoxyphenyl)-4-methyltetrazol-5-one has a molecular weight of 206.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 139194376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).