2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine

C11H17N5S — CID 62421569

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1ccsc1
InChIInChI=1S/C11H17N5S/c1-15(7-10-2-5-17-9-10)3-4-16-8-11(6-12)13-14-16/h2,5,8-9H,3-4,6-7,12H2,1H3
InChIKeyIFJUYUDCMPMQFW-UHFFFAOYSA-N
MW251.36 g/mol
LogP0.93
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine

2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 62421569) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID62421569
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCn1cc(CN)nn1)Cc1ccsc1
InChIInChI=1S/C11H17N5S/c1-15(7-10-2-5-17-9-10)3-4-16-8-11(6-12)13-14-16/h2,5,8-9H,3-4,6-7,12H2,1H3
InChIKeyIFJUYUDCMPMQFW-UHFFFAOYSA-N
XLogP0.93
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
1-[4-[(1S)-2-methyl-1-(thiophen-3-ylmethylamino)propyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 89643171
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626587
N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626600
1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazol-4-amine
CID 19626717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine (CID 62421569) is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine is CN(CCn1cc(CN)nn1)Cc1ccsc1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is IFJUYUDCMPMQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-15(7-10-2-5-17-9-10)3-4-16-8-11(6-12)13-14-16/h2,5,8-9H,3-4,6-7,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine?
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 251.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 62421569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).