N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide

C10H16N8OS — CID 91771033

IUPACN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCn1nnnc1SCCNC(=O)CCCn1cncn1
InChIInChI=1S/C10H16N8OS/c1-17-10(14-15-16-17)20-6-4-12-9(19)3-2-5-18-8-11-7-13-18/h7-8H,2-6H2,1H3,(H,12,19)
InChIKeyYYAHXRGSPPDAOB-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.51
Rot. Bonds8

About N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 91771033) has the molecular formula C10H16N8OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID91771033
Molecular FormulaC10H16N8OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCn1nnnc1SCCNC(=O)CCCn1cncn1
InChIInChI=1S/C10H16N8OS/c1-17-10(14-15-16-17)20-6-4-12-9(19)3-2-5-18-8-11-7-13-18/h7-8H,2-6H2,1H3,(H,12,19)
InChIKeyYYAHXRGSPPDAOB-UHFFFAOYSA-N
XLogP-0.51
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91778266
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-(2-tert-butylsulfinylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 167843334
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244
2-[(4-fluorophenyl)methyl-methylamino]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91789990
3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 71866653
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 91771033) is N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide is Cn1nnnc1SCCNC(=O)CCCn1cncn1.
What is the InChIKey of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is YYAHXRGSPPDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8OS/c1-17-10(14-15-16-17)20-6-4-12-9(19)3-2-5-18-8-11-7-13-18/h7-8H,2-6H2,1H3,(H,12,19).
What are the key properties of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 296.36 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 91771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).