[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine

C15H16N4OS — CID 82200714

IUPAC[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1-c1cccs1
InChIInChI=1S/C15H16N4OS/c1-10-5-6-13(20-2)12(8-10)19-15(11(9-16)17-18-19)14-4-3-7-21-14/h3-8H,9,16H2,1-2H3
InChIKeySKOQKIFXEIKRCR-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.77
Rot. Bonds4

About [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine

[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine (PubChem CID 82200714) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
PubChem CID82200714
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nnc(CN)c1-c1cccs1
InChIInChI=1S/C15H16N4OS/c1-10-5-6-13(20-2)12(8-10)19-15(11(9-16)17-18-19)14-4-3-7-21-14/h3-8H,9,16H2,1-2H3
InChIKeySKOQKIFXEIKRCR-UHFFFAOYSA-N
XLogP2.77
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759
[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82199012
3-benzylsulfanyl-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole
CID 2400065
2-[4-[4-(aminomethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetic acid
CID 94935952
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
CID 139023294
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine (CID 82200714) is [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine is COc1ccc(C)cc1-n1nnc(CN)c1-c1cccs1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
The InChIKey is SKOQKIFXEIKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-5-6-13(20-2)12(8-10)19-15(11(9-16)17-18-19)14-4-3-7-21-14/h3-8H,9,16H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine?
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine has a molecular weight of 300.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82200714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).