N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C13H19N5S — CID 55072751

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCc1cn(CCN(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C13H19N5S/c14-7-12-9-18(16-15-12)5-4-17(13-1-2-13)8-11-3-6-19-10-11/h3,6,9-10,13H,1-2,4-5,7-8,14H2
InChIKeyMCDGUQYXHRWOFU-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.46
Rot. Bonds7

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 55072751) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID55072751
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNCc1cn(CCN(Cc2ccsc2)C2CC2)nn1
InChIInChI=1S/C13H19N5S/c14-7-12-9-18(16-15-12)5-4-17(13-1-2-13)8-11-3-6-19-10-11/h3,6,9-10,13H,1-2,4-5,7-8,14H2
InChIKeyMCDGUQYXHRWOFU-UHFFFAOYSA-N
XLogP1.46
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-{[1-(3-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 29087479
1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 54866678
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55029882
N-methyl-1-[1-(3-piperidinylmethyl)-1H-1,2,3-triazol-4-yl]-N-(3-thienylmethyl)methanamine bis(trifluoroacetate)
CID 56854108
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
1-[2-[Cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]pyrazol-4-amine
CID 62138071

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 55072751) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is NCc1cn(CCN(Cc2ccsc2)C2CC2)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is MCDGUQYXHRWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c14-7-12-9-18(16-15-12)5-4-17(13-1-2-13)8-11-3-6-19-10-11/h3,6,9-10,13H,1-2,4-5,7-8,14H2.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 277.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 55072751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).