5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide

C13H10ClN5O — CID 925608

IUPAC5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnnc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C13H10ClN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20)
InChIKeySBCDMZKNMSVBHP-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.27
Rot. Bonds2

About 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide

5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 925608) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID925608
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCn1nnnc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C13H10ClN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20)
InChIKeySBCDMZKNMSVBHP-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 925601
CID 925601
CID 934049
CID 934049
CID 5076145
CID 5076145
CID 935984
CID 935984
CID 935971
CID 935971
CID 954521
CID 954521
CID 965794
CID 965794
CID 135252883
CID 135252883
CID 137463068
CID 137463068
CID 176063627
CID 176063627
CID 934073
CID 934073
CID 4776642
CID 4776642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide (CID 925608) is 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide is Cn1nnnc1NC(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is SBCDMZKNMSVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c1-19-13(16-17-18-19)15-12(20)10-6-2-5-9-8(10)4-3-7-11(9)14/h2-7H,1H3,(H,15,16,18,20).
What are the key properties of 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide?
5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyltetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 925608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).