[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine

C16H18N4S — CID 82208955

IUPAC[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine
SMILESNCc1nnn(CCCc2ccccc2)c1-c1cccs1
InChIInChI=1S/C16H18N4S/c17-12-14-16(15-9-5-11-21-15)20(19-18-14)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12,17H2
InChIKeyNIQPBLWPACXTQT-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.10
Rot. Bonds6

About [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine

[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine (PubChem CID 82208955) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine
PubChem CID82208955
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine
SMILESNCc1nnn(CCCc2ccccc2)c1-c1cccs1
InChIInChI=1S/C16H18N4S/c17-12-14-16(15-9-5-11-21-15)20(19-18-14)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12,17H2
InChIKeyNIQPBLWPACXTQT-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[1-[(4-propan-2-ylphenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanamine
CID 94943770
2-[4-[4-(aminomethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetic acid
CID 94935952
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82208937
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
5-methyl-1-(4-phenylbutyl)triazol-4-amine
CID 114335029
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine (CID 82208955) is [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine is NCc1nnn(CCCc2ccccc2)c1-c1cccs1.
What is the InChIKey of [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The InChIKey is NIQPBLWPACXTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c17-12-14-16(15-9-5-11-21-15)20(19-18-14)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12,17H2.
What are the key properties of [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
[1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine has a molecular weight of 298.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpropyl)-5-thiophen-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82208955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).