N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine

C11H16N4S — CID 103399195

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine
SMILESCC(C)(C)n1cc(CNc2ccsc2)nn1
InChIInChI=1S/C11H16N4S/c1-11(2,3)15-7-10(13-14-15)6-12-9-4-5-16-8-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyDJRVKWRZSFEQAY-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.71
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine

N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine (PubChem CID 103399195) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine
PubChem CID103399195
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine
SMILESCC(C)(C)n1cc(CNc2ccsc2)nn1
InChIInChI=1S/C11H16N4S/c1-11(2,3)15-7-10(13-14-15)6-12-9-4-5-16-8-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyDJRVKWRZSFEQAY-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
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
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)ethanamine
CID 62421398
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421399
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421400
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421565
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421566
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421567

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine (CID 103399195) is N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine is CC(C)(C)n1cc(CNc2ccsc2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine?
The InChIKey is DJRVKWRZSFEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-11(2,3)15-7-10(13-14-15)6-12-9-4-5-16-8-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine has a molecular weight of 236.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]thiophen-3-amine is sourced from PubChem (CID 103399195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).