N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide

C13H15N5O2 — CID 156584049

IUPACN-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C13H15N5O2/c1-2-18-16-13(15-17-18)14-12(19)10-5-6-11-9(8-10)4-3-7-20-11/h5-6,8H,2-4,7H2,1H3,(H,14,16,19)
InChIKeyIVRFHCAQKIPCEX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.27
Rot. Bonds3

About N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide

N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 156584049) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID156584049
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C13H15N5O2/c1-2-18-16-13(15-17-18)14-12(19)10-5-6-11-9(8-10)4-3-7-20-11/h5-6,8H,2-4,7H2,1H3,(H,14,16,19)
InChIKeyIVRFHCAQKIPCEX-UHFFFAOYSA-N
XLogP1.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide (CID 156584049) is N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide is CCn1nnc(NC(=O)c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is IVRFHCAQKIPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-2-18-16-13(15-17-18)14-12(19)10-5-6-11-9(8-10)4-3-7-20-11/h5-6,8H,2-4,7H2,1H3,(H,14,16,19).
What are the key properties of N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide?
N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 156584049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).