4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H15N5O2 — CID 900454

IUPAC4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyYYYFLKRZFMOJSC-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.34
Rot. Bonds5

About 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 900454) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID900454
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyYYYFLKRZFMOJSC-UHFFFAOYSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
N-(4-Methoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 9799052
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 900454) is 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is YYYFLKRZFMOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,15,18).
What are the key properties of 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 261.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 900454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).