2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine

C14H21N5S — CID 104604381

IUPAC2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cnc1Sc1ncnn1C
InChIInChI=1S/C14H21N5S/c1-10(2)6-15-7-12-5-11(3)13(16-8-12)20-14-17-9-18-19(14)4/h5,8-10,15H,6-7H2,1-4H3
InChIKeyVETAWHKFLOBXMD-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.42
Rot. Bonds6

About 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 104604381) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID104604381
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)cnc1Sc1ncnn1C
InChIInChI=1S/C14H21N5S/c1-10(2)6-15-7-12-5-11(3)13(16-8-12)20-14-17-9-18-19(14)4/h5,8-10,15H,6-7H2,1-4H3
InChIKeyVETAWHKFLOBXMD-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80640458
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80650679
N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80640389
2-methoxy-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]ethanamine
CID 80640118
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80637065
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine (CID 104604381) is 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine is Cc1cc(CNCC(C)C)cnc1Sc1ncnn1C.
What is the InChIKey of 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is VETAWHKFLOBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10(2)6-15-7-12-5-11(3)13(16-8-12)20-14-17-9-18-19(14)4/h5,8-10,15H,6-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 104604381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).