N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide

C15H17N5O2 — CID 99775615

IUPACN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
SMILESCCC[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nn[nH]n1
InChIInChI=1S/C15H17N5O2/c1-2-5-12(14-17-19-20-18-14)16-15(21)11-8-10-6-3-4-7-13(10)22-9-11/h3-4,6-8,12H,2,5,9H2,1H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeySMWZCYMHCOMPBI-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.63
Rot. Bonds5

About N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide

N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide (PubChem CID 99775615) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
PubChem CID99775615
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
SMILESCCC[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nn[nH]n1
InChIInChI=1S/C15H17N5O2/c1-2-5-12(14-17-19-20-18-14)16-15(21)11-8-10-6-3-4-7-13(10)22-9-11/h3-4,6-8,12H,2,5,9H2,1H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeySMWZCYMHCOMPBI-LBPRGKRZSA-N
XLogP1.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide (CID 99775615) is N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide is CCC[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nn[nH]n1.
What is the InChIKey of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide?
The InChIKey is SMWZCYMHCOMPBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-2-5-12(14-17-19-20-18-14)16-15(21)11-8-10-6-3-4-7-13(10)22-9-11/h3-4,6-8,12H,2,5,9H2,1H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide?
N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 99775615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).