3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide

C12H13N9O2 — CID 131893929

IUPAC3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
SMILESCc1nnnn1CCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C12H13N9O2/c1-8-14-19-20-21(8)7-6-11(22)13-9-2-4-10(5-3-9)23-12-15-17-18-16-12/h2-5H,6-7H2,1H3,(H,13,22)(H,15,16,17,18)
InChIKeyIIOHWPAMMVQWKQ-UHFFFAOYSA-N
MW315.30 g/mol
LogP0.32
Rot. Bonds6

About 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide

3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide (PubChem CID 131893929) has the molecular formula C12H13N9O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
PubChem CID131893929
Molecular FormulaC12H13N9O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
SMILESCc1nnnn1CCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C12H13N9O2/c1-8-14-19-20-21(8)7-6-11(22)13-9-2-4-10(5-3-9)23-12-15-17-18-16-12/h2-5H,6-7H2,1H3,(H,13,22)(H,15,16,17,18)
InChIKeyIIOHWPAMMVQWKQ-UHFFFAOYSA-N
XLogP0.32
TPSA136.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide
CID 13103350
N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439
1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131903630
3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131892802
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131948776
5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
CID 131934212
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131896194
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131925701
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
5-(4-methylphenoxy)-2H-tetrazole
CID 5152789
N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide (CID 131893929) is 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide is Cc1nnnn1CCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
The InChIKey is IIOHWPAMMVQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9O2/c1-8-14-19-20-21(8)7-6-11(22)13-9-2-4-10(5-3-9)23-12-15-17-18-16-12/h2-5H,6-7H2,1H3,(H,13,22)(H,15,16,17,18).
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide?
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide has a molecular weight of 315.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide is sourced from PubChem (CID 131893929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).