N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide

C10H10N8O — CID 9429890

IUPACN-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nn1nnc2ccccc21
InChIInChI=1S/C10H10N8O/c19-10(5-6-17-7-11-14-16-17)13-18-9-4-2-1-3-8(9)12-15-18/h1-4,7H,5-6H2,(H,13,19)
InChIKeyXCSAAPPBBHCSBU-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.42
Rot. Bonds4

About N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide

N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide (PubChem CID 9429890) has the molecular formula C10H10N8O and a molecular weight of 258.25 g/mol. Its IUPAC name is N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
PubChem CID9429890
Molecular FormulaC10H10N8O
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC NameN-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)Nn1nnc2ccccc21
InChIInChI=1S/C10H10N8O/c19-10(5-6-17-7-11-14-16-17)13-18-9-4-2-1-3-8(9)12-15-18/h1-4,7H,5-6H2,(H,13,19)
InChIKeyXCSAAPPBBHCSBU-UHFFFAOYSA-N
XLogP-0.42
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide (CID 9429890) is N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)Nn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is XCSAAPPBBHCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8O/c19-10(5-6-17-7-11-14-16-17)13-18-9-4-2-1-3-8(9)12-15-18/h1-4,7H,5-6H2,(H,13,19).
What are the key properties of N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide?
N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 258.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 9429890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).