3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine

C14H22N4S — CID 65285410

IUPAC3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCn1nc(-c2cccs2)nc1CCC(C)(C)CCN
InChIInChI=1S/C14H22N4S/c1-14(2,8-9-15)7-6-12-16-13(17-18(12)3)11-5-4-10-19-11/h4-5,10H,6-9,15H2,1-3H3
InChIKeyWUXDUGFJRHKOSB-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.85
Rot. Bonds6

About 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine

3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 65285410) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID65285410
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCn1nc(-c2cccs2)nc1CCC(C)(C)CCN
InChIInChI=1S/C14H22N4S/c1-14(2,8-9-15)7-6-12-16-13(17-18(12)3)11-5-4-10-19-11/h4-5,10H,6-9,15H2,1-3H3
InChIKeyWUXDUGFJRHKOSB-UHFFFAOYSA-N
XLogP2.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672891
[1-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 62734137
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345528
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 62733943
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
3-[(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 55111148
4-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733759
N-methyl-1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 62733947
4-methyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 62732446
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008
2-(3-thiophen-2-yl-1,2,4-triazol-1-yl)ethanamine
CID 82281804
1-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62733191

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine (CID 65285410) is 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is Cn1nc(-c2cccs2)nc1CCC(C)(C)CCN.
What is the InChIKey of 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is WUXDUGFJRHKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-14(2,8-9-15)7-6-12-16-13(17-18(12)3)11-5-4-10-19-11/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine?
3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 65285410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).