1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine

C14H21N5O2 — CID 667335

IUPAC1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cccc(OC)c1OC
InChIInChI=1S/C14H21N5O2/c1-4-5-9-19-14(16-17-18-19)15-10-11-7-6-8-12(20-2)13(11)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16,18)
InChIKeyJLGJJOFALDGYKC-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.10
Rot. Bonds8

About 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine

1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine (PubChem CID 667335) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine
PubChem CID667335
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cccc(OC)c1OC
InChIInChI=1S/C14H21N5O2/c1-4-5-9-19-14(16-17-18-19)15-10-11-7-6-8-12(20-2)13(11)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16,18)
InChIKeyJLGJJOFALDGYKC-UHFFFAOYSA-N
XLogP2.10
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine (CID 667335) is 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1cccc(OC)c1OC.
What is the InChIKey of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine?
The InChIKey is JLGJJOFALDGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-5-9-19-14(16-17-18-19)15-10-11-7-6-8-12(20-2)13(11)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,15,16,18).
What are the key properties of 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine?
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine has a molecular weight of 291.36 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(2,3-dimethoxyphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 667335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).