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

C12H18N6S — CID 80640389

IUPACN-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Sc1nnnn1C
InChIInChI=1S/C12H18N6S/c1-8(2)13-6-10-5-9(3)11(14-7-10)19-12-15-16-17-18(12)4/h5,7-8,13H,6H2,1-4H3
InChIKeyBXWVHUFQPNDTQR-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.56
Rot. Bonds5

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

N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80640389) has the molecular formula C12H18N6S and a molecular weight of 278.39 g/mol. Its IUPAC name is N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80640389
Molecular FormulaC12H18N6S
Molecular Weight278.39 g/mol
Exact Mass278.13
IUPAC NameN-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cnc1Sc1nnnn1C
InChIInChI=1S/C12H18N6S/c1-8(2)13-6-10-5-9(3)11(14-7-10)19-12-15-16-17-18(12)4/h5,7-8,13H,6H2,1-4H3
InChIKeyBXWVHUFQPNDTQR-UHFFFAOYSA-N
XLogP1.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[6-(4-bromophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640521
N-[[6-(3,4-dichlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80640372
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 80639266
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 104604381
2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651345
3-[[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]sulfanyl]propane-1,2-diol
CID 80651518
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80640458
N-[[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methyl]propan-2-amine
CID 63805114
N-[[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylphenyl]methyl]propan-2-amine
CID 63812975
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine (CID 80640389) is N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cnc1Sc1nnnn1C.
What is the InChIKey of N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BXWVHUFQPNDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-8(2)13-6-10-5-9(3)11(14-7-10)19-12-15-16-17-18(12)4/h5,7-8,13H,6H2,1-4H3.
What are the key properties of N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine?
N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 278.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80640389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).