[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol

C15H18N4OS — CID 80639648

IUPAC[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H18N4OS/c1-9-6-10(8-20)7-16-14(9)21-15-18-17-13(11-2-3-11)19(15)12-4-5-12/h6-7,11-12,20H,2-5,8H2,1H3
InChIKeyBZLFACYUEDIEKX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.84
Rot. Bonds5

About [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol

[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol (PubChem CID 80639648) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol
PubChem CID80639648
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H18N4OS/c1-9-6-10(8-20)7-16-14(9)21-15-18-17-13(11-2-3-11)19(15)12-4-5-12/h6-7,11-12,20H,2-5,8H2,1H3
InChIKeyBZLFACYUEDIEKX-UHFFFAOYSA-N
XLogP2.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol (CID 80639648) is [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
The InChIKey is BZLFACYUEDIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-6-10(8-20)7-16-14(9)21-15-18-17-13(11-2-3-11)19(15)12-4-5-12/h6-7,11-12,20H,2-5,8H2,1H3.
What are the key properties of [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol?
[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol has a molecular weight of 302.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80639648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).