(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate

C14H19N5O2 — CID 55397232

IUPAC(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O2/c1-4-8-19-13(15-16-17-19)10-21-14(20)11-6-5-7-12(9-11)18(2)3/h5-7,9H,4,8,10H2,1-3H3
InChIKeyBTEAGWRZXXXTLF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.51
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate

(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate (PubChem CID 55397232) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
PubChem CID55397232
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O2/c1-4-8-19-13(15-16-17-19)10-21-14(20)11-6-5-7-12(9-11)18(2)3/h5-7,9H,4,8,10H2,1-3H3
InChIKeyBTEAGWRZXXXTLF-UHFFFAOYSA-N
XLogP1.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
(1-propyltetrazol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55399460
(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-butyltetrazol-5-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55999037
(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 35306474
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate (CID 55397232) is (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate is CCCn1nnnc1COC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate?
The InChIKey is BTEAGWRZXXXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-8-19-13(15-16-17-19)10-21-14(20)11-6-5-7-12(9-11)18(2)3/h5-7,9H,4,8,10H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate?
(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate has a molecular weight of 289.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate is sourced from PubChem (CID 55397232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).