N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C14H23N5S — CID 46993076

IUPACN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCn1ncnc1CN(CCN(C)C)Cc1ccsc1
InChIInChI=1S/C14H23N5S/c1-4-19-14(15-12-16-19)10-18(7-6-17(2)3)9-13-5-8-20-11-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3
InChIKeyNSOWOXNCGNKSTQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.92
Rot. Bonds8

About N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46993076) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID46993076
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCCn1ncnc1CN(CCN(C)C)Cc1ccsc1
InChIInChI=1S/C14H23N5S/c1-4-19-14(15-12-16-19)10-18(7-6-17(2)3)9-13-5-8-20-11-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3
InChIKeyNSOWOXNCGNKSTQ-UHFFFAOYSA-N
XLogP1.92
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105109200
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171442406
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
N,N-dimethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46989151
N'-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 46999615
5-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]-2-hydroxybenzoic acid
CID 46995914
N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-thiophen-3-ylpropan-2-ol
CID 105108239
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N-[2-[[2-(dimethylamino)ethyl-(thiophen-3-ylmethyl)amino]methyl]quinolin-6-yl]acetamide
CID 46986735
N'-(2-aminoethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62923287
3-N-ethyl-4-(2-ethyl-1,2,4-triazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346632

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 46993076) is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CCn1ncnc1CN(CCN(C)C)Cc1ccsc1.
What is the InChIKey of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is NSOWOXNCGNKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-4-19-14(15-12-16-19)10-18(7-6-17(2)3)9-13-5-8-20-11-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3.
What are the key properties of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 293.44 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).