N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine

C11H16N4S — CID 114687092

IUPACN-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-3-5-12-11(9-4-6-16-8-9)10-7-13-14-15(10)2/h4,6-8,11-12H,3,5H2,1-2H3
InChIKeyPYJHZNTWKSBUJA-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.97
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 114687092) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID114687092
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-3-5-12-11(9-4-6-16-8-9)10-7-13-14-15(10)2/h4,6-8,11-12H,3,5H2,1-2H3
InChIKeyPYJHZNTWKSBUJA-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 82902048
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 114687811
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 114687092) is N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1cnnn1C.
What is the InChIKey of N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is PYJHZNTWKSBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-5-12-11(9-4-6-16-8-9)10-7-13-14-15(10)2/h4,6-8,11-12H,3,5H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 114687092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).