[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol

C8H11N7O — CID 62400550

IUPAC[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C8H11N7O/c16-5-6-3-14(12-9-6)4-8-10-11-13-15(8)7-1-2-7/h3,7,16H,1-2,4-5H2
InChIKeyFOWWHOVHESCDPT-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.86
Rot. Bonds4

About [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol

[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol (PubChem CID 62400550) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol
PubChem CID62400550
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C8H11N7O/c16-5-6-3-14(12-9-6)4-8-10-11-13-15(8)7-1-2-7/h3,7,16H,1-2,4-5H2
InChIKeyFOWWHOVHESCDPT-UHFFFAOYSA-N
XLogP-0.86
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol (CID 62400550) is [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2nnnn2C2CC2)nn1.
What is the InChIKey of [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol?
The InChIKey is FOWWHOVHESCDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c16-5-6-3-14(12-9-6)4-8-10-11-13-15(8)7-1-2-7/h3,7,16H,1-2,4-5H2.
What are the key properties of [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol?
[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol has a molecular weight of 221.22 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).