1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C13H19N5 — CID 106759552

IUPAC1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCn1ncnc1CNc1ccccc1N(C)C
InChIInChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-14-11-7-5-6-8-12(11)17(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyKWWZZIXRBHRPQB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds5

About 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106759552) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106759552
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCn1ncnc1CNc1ccccc1N(C)C
InChIInChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-14-11-7-5-6-8-12(11)17(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyKWWZZIXRBHRPQB-UHFFFAOYSA-N
XLogP1.98
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759550
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
1-N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759618
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylaniline
CID 82757811
2-methylsulfanyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 107644779
2-bromo-4-chloro-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 81270258
1-(dimethylamino)-3-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methylpropan-2-ol
CID 106147440
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
3-N,3-N-dimethyl-1-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 115377844

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106759552) is 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CCn1ncnc1CNc1ccccc1N(C)C.
What is the InChIKey of 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is KWWZZIXRBHRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-13(15-10-16-18)9-14-11-7-5-6-8-12(11)17(2)3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106759552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).