1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol

C11H20N4OS — CID 65213811

IUPAC1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol
SMILESCn1c(CN)nnc1SCC1(O)CCCCC1
InChIInChI=1S/C11H20N4OS/c1-15-9(7-12)13-14-10(15)17-8-11(16)5-3-2-4-6-11/h16H,2-8,12H2,1H3
InChIKeyZMVKDKQEMPNTFG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.06
Rot. Bonds4

About 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol

1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol (PubChem CID 65213811) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol
PubChem CID65213811
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol
SMILESCn1c(CN)nnc1SCC1(O)CCCCC1
InChIInChI=1S/C11H20N4OS/c1-15-9(7-12)13-14-10(15)17-8-11(16)5-3-2-4-6-11/h16H,2-8,12H2,1H3
InChIKeyZMVKDKQEMPNTFG-UHFFFAOYSA-N
XLogP1.06
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol (CID 65213811) is 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol is Cn1c(CN)nnc1SCC1(O)CCCCC1.
What is the InChIKey of 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol?
The InChIKey is ZMVKDKQEMPNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-15-9(7-12)13-14-10(15)17-8-11(16)5-3-2-4-6-11/h16H,2-8,12H2,1H3.
What are the key properties of 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol?
1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 65213811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).