[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C10H14N6OS — CID 66149841

IUPAC[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1nnnn1C1CC1
InChIInChI=1S/C10H14N6OS/c1-15-8(5-17)4-11-10(15)18-6-9-12-13-14-16(9)7-2-3-7/h4,7,17H,2-3,5-6H2,1H3
InChIKeyHAEVVPSJHNPAPG-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.53
Rot. Bonds5

About [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 66149841) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID66149841
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1nnnn1C1CC1
InChIInChI=1S/C10H14N6OS/c1-15-8(5-17)4-11-10(15)18-6-9-12-13-14-16(9)7-2-3-7/h4,7,17H,2-3,5-6H2,1H3
InChIKeyHAEVVPSJHNPAPG-UHFFFAOYSA-N
XLogP0.53
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 66149841) is [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1nnnn1C1CC1.
What is the InChIKey of [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is HAEVVPSJHNPAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-15-8(5-17)4-11-10(15)18-6-9-12-13-14-16(9)7-2-3-7/h4,7,17H,2-3,5-6H2,1H3.
What are the key properties of [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 266.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66149841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).