N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C9H12N4S — CID 63247840

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-13-6-9(11-12-13)5-10-4-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyYJJFVUNAKMGHHR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.17
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 63247840) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID63247840
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCn1cc(CNCc2ccsc2)nn1
InChIInChI=1S/C9H12N4S/c1-13-6-9(11-12-13)5-10-4-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyYJJFVUNAKMGHHR-UHFFFAOYSA-N
XLogP1.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
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-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626522
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626561
N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626587

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 63247840) is N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is Cn1cc(CNCc2ccsc2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is YJJFVUNAKMGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-6-9(11-12-13)5-10-4-8-2-3-14-7-8/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 63247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).