1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one

C5H10N4O2 — CID 59152779

IUPAC1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one
SMILESCCn1nnn(CCO)c1=O
InChIInChI=1S/C5H10N4O2/c1-2-8-5(11)9(3-4-10)7-6-8/h10H,2-4H2,1H3
InChIKeyNZZYVDVRVCTFFN-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.55
Rot. Bonds3

About 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one

1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one (PubChem CID 59152779) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one.

Molecular Properties

Compound Name1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one
PubChem CID59152779
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one
SMILESCCn1nnn(CCO)c1=O
InChIInChI=1S/C5H10N4O2/c1-2-8-5(11)9(3-4-10)7-6-8/h10H,2-4H2,1H3
InChIKeyNZZYVDVRVCTFFN-UHFFFAOYSA-N
XLogP-1.55
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one?
The IUPAC name of 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one (CID 59152779) is 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one.
What is the SMILES notation for 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one?
The canonical SMILES for 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one is CCn1nnn(CCO)c1=O.
What is the InChIKey of 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one?
The InChIKey is NZZYVDVRVCTFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-2-8-5(11)9(3-4-10)7-6-8/h10H,2-4H2,1H3.
What are the key properties of 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one?
1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one has a molecular weight of 158.16 g/mol, XLogP of -1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-hydroxyethyl)tetrazol-5-one is sourced from PubChem (CID 59152779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).