[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

C14H18N4O — CID 107057773

IUPAC[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCn1nnc(CC2(CO)CCCc3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-18-16-13(15-17-18)9-14(10-19)8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,19H,4,6,8-10H2,1H3
InChIKeyZOPKMSMUNOTPKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.02
Rot. Bonds3

About [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 107057773) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID107057773
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCn1nnc(CC2(CO)CCCc3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-18-16-13(15-17-18)9-14(10-19)8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,19H,4,6,8-10H2,1H3
InChIKeyZOPKMSMUNOTPKJ-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 107057773) is [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is Cn1nnc(CC2(CO)CCCc3ccccc32)n1.
What is the InChIKey of [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is ZOPKMSMUNOTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-16-13(15-17-18)9-14(10-19)8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,19H,4,6,8-10H2,1H3.
What are the key properties of [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 107057773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).