N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C14H20N4O — CID 54893446

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNCc2nncn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)19-13-6-4-12(5-7-13)8-15-9-14-17-16-10-18(14)3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeySFUVCUJTEQGRCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds6

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54893446) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54893446
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(CNCc2nncn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11(2)19-13-6-4-12(5-7-13)8-15-9-14-17-16-10-18(14)3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeySFUVCUJTEQGRCU-UHFFFAOYSA-N
XLogP1.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 115523846
1-(4-bromo-3-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66472217
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 63332310
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
1-(1-ethylpyrrol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66415171
1-(4-propan-2-yloxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897632
N-[(4-tert-butylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328712
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 104626899
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54893446) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(CNCc2nncn2C)cc1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is SFUVCUJTEQGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)19-13-6-4-12(5-7-13)8-15-9-14-17-16-10-18(14)3/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).