N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

C15H23N5 — CID 107441578

IUPACN'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1-c1nncn1C
InChIInChI=1S/C15H23N5/c1-11(2)12(8-16)9-17-14-7-5-4-6-13(14)15-19-18-10-20(15)3/h4-7,10-12,17H,8-9,16H2,1-3H3
InChIKeyROJLSNBELMHTGG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.12
Rot. Bonds6

About N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441578) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441578
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1-c1nncn1C
InChIInChI=1S/C15H23N5/c1-11(2)12(8-16)9-17-14-7-5-4-6-13(14)15-19-18-10-20(15)3/h4-7,10-12,17H,8-9,16H2,1-3H3
InChIKeyROJLSNBELMHTGG-UHFFFAOYSA-N
XLogP2.12
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707390
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441440
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 65224910
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 79473385
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707229
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 82834712
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441578) is N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1ccccc1-c1nncn1C.
What is the InChIKey of N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is ROJLSNBELMHTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)12(8-16)9-17-14-7-5-4-6-13(14)15-19-18-10-20(15)3/h4-7,10-12,17H,8-9,16H2,1-3H3.
What are the key properties of N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).