(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol

C6H8N6O — CID 130930410

IUPAC(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
SMILESCn1nnc(C(O)c2cn[nH]c2)n1
InChIInChI=1S/C6H8N6O/c1-12-10-6(9-11-12)5(13)4-2-7-8-3-4/h2-3,5,13H,1H3,(H,7,8)
InChIKeyCQMHDEXLXNWPRV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.99
Rot. Bonds2

About (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol

(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol (PubChem CID 130930410) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
PubChem CID130930410
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
SMILESCn1nnc(C(O)c2cn[nH]c2)n1
InChIInChI=1S/C6H8N6O/c1-12-10-6(9-11-12)5(13)4-2-7-8-3-4/h2-3,5,13H,1H3,(H,7,8)
InChIKeyCQMHDEXLXNWPRV-UHFFFAOYSA-N
XLogP-0.99
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol?
The IUPAC name of (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol (CID 130930410) is (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol?
The canonical SMILES for (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol is Cn1nnc(C(O)c2cn[nH]c2)n1.
What is the InChIKey of (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol?
The InChIKey is CQMHDEXLXNWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-12-10-6(9-11-12)5(13)4-2-7-8-3-4/h2-3,5,13H,1H3,(H,7,8).
What are the key properties of (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol?
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol has a molecular weight of 180.17 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 130930410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).