2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol

C10H15N7O — CID 113461351

IUPAC2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C10H15N7O/c1-10(2,18)8-5-16(14-11-8)6-9-12-13-15-17(9)7-3-4-7/h5,7,18H,3-4,6H2,1-2H3
InChIKeySVBRYHFAMVJYMQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.12
Rot. Bonds4

About 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol

2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol (PubChem CID 113461351) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
PubChem CID113461351
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C10H15N7O/c1-10(2,18)8-5-16(14-11-8)6-9-12-13-15-17(9)7-3-4-7/h5,7,18H,3-4,6H2,1-2H3
InChIKeySVBRYHFAMVJYMQ-UHFFFAOYSA-N
XLogP-0.12
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol (CID 113461351) is 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(Cc2nnnn2C2CC2)nn1.
What is the InChIKey of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol?
The InChIKey is SVBRYHFAMVJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-10(2,18)8-5-16(14-11-8)6-9-12-13-15-17(9)7-3-4-7/h5,7,18H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol?
2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol has a molecular weight of 249.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 113461351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).