(5-tert-butyl-1-phenyltriazol-4-yl)methanamine

C13H18N4 — CID 82200264

IUPAC(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
SMILESCC(C)(C)c1c(CN)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-13(2,3)12-11(9-14)15-16-17(12)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3
InChIKeyVARKVQCVUXJPAH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.02
Rot. Bonds2

About (5-tert-butyl-1-phenyltriazol-4-yl)methanamine

(5-tert-butyl-1-phenyltriazol-4-yl)methanamine (PubChem CID 82200264) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5-tert-butyl-1-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
PubChem CID82200264
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
SMILESCC(C)(C)c1c(CN)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-13(2,3)12-11(9-14)15-16-17(12)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3
InChIKeyVARKVQCVUXJPAH-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-tert-butyl-1-(3-methylsulfanylphenyl)triazol-4-yl]methanamine
CID 82200919
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[5-tert-butyl-1-(4-chloro-3-nitrophenyl)triazol-4-yl]methanamine
CID 94938077
[1-(4-bromophenyl)-5-tert-butyltriazol-4-yl]methanol
CID 94938695
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[1-(3-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94937660
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
[5-tert-butyl-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769261
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-tert-butyl-1-phenyltriazol-4-yl)methanamine (CID 82200264) is (5-tert-butyl-1-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1-phenyltriazol-4-yl)methanamine is CC(C)(C)c1c(CN)nnn1-c1ccccc1.
What is the InChIKey of (5-tert-butyl-1-phenyltriazol-4-yl)methanamine?
The InChIKey is VARKVQCVUXJPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)12-11(9-14)15-16-17(12)10-7-5-4-6-8-10/h4-8H,9,14H2,1-3H3.
What are the key properties of (5-tert-butyl-1-phenyltriazol-4-yl)methanamine?
(5-tert-butyl-1-phenyltriazol-4-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 82200264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).