3-(1-butyltetrazol-5-yl)-5-methylaniline

C12H17N5 — CID 113396325

IUPAC3-(1-butyltetrazol-5-yl)-5-methylaniline
SMILESCCCCn1nnnc1-c1cc(C)cc(N)c1
InChIInChI=1S/C12H17N5/c1-3-4-5-17-12(14-15-16-17)10-6-9(2)7-11(13)8-10/h6-8H,3-5,13H2,1-2H3
InChIKeyOSKGOBOVHNEMRH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.03
Rot. Bonds4

About 3-(1-butyltetrazol-5-yl)-5-methylaniline

3-(1-butyltetrazol-5-yl)-5-methylaniline (PubChem CID 113396325) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-butyltetrazol-5-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(1-butyltetrazol-5-yl)-5-methylaniline
PubChem CID113396325
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(1-butyltetrazol-5-yl)-5-methylaniline
SMILESCCCCn1nnnc1-c1cc(C)cc(N)c1
InChIInChI=1S/C12H17N5/c1-3-4-5-17-12(14-15-16-17)10-6-9(2)7-11(13)8-10/h6-8H,3-5,13H2,1-2H3
InChIKeyOSKGOBOVHNEMRH-UHFFFAOYSA-N
XLogP2.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
CID 61352271
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803
3-methyl-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765155
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
3-(1-butyltetrazol-5-yl)-4-methylaniline
CID 61352668
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
3-chloro-5-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326818
3-bromo-5-[1-(2-methylsulfinylethyl)tetrazol-5-yl]aniline
CID 113480476
3-chloro-5-[1-(4-propan-2-yloxybutyl)tetrazol-5-yl]aniline
CID 106010846
2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
CID 61351683
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyltetrazol-5-yl)-5-methylaniline?
The IUPAC name of 3-(1-butyltetrazol-5-yl)-5-methylaniline (CID 113396325) is 3-(1-butyltetrazol-5-yl)-5-methylaniline.
What is the SMILES notation for 3-(1-butyltetrazol-5-yl)-5-methylaniline?
The canonical SMILES for 3-(1-butyltetrazol-5-yl)-5-methylaniline is CCCCn1nnnc1-c1cc(C)cc(N)c1.
What is the InChIKey of 3-(1-butyltetrazol-5-yl)-5-methylaniline?
The InChIKey is OSKGOBOVHNEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-4-5-17-12(14-15-16-17)10-6-9(2)7-11(13)8-10/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 3-(1-butyltetrazol-5-yl)-5-methylaniline?
3-(1-butyltetrazol-5-yl)-5-methylaniline has a molecular weight of 231.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyltetrazol-5-yl)-5-methylaniline is sourced from PubChem (CID 113396325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).