(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol

C5H9N5O2 — CID 130751634

IUPAC(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol
SMILESNc1nnnn1[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H9N5O2/c6-5-7-8-9-10(5)3-1-12-2-4(3)11/h3-4,11H,1-2H2,(H2,6,7,9)/t3-,4-/m1/s1
InChIKeyRUMKBOQNZFKPRD-QWWZWVQMSA-N
MW171.16 g/mol
LogP-1.81
Rot. Bonds1

About (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol

(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol (PubChem CID 130751634) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol
PubChem CID130751634
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol
SMILESNc1nnnn1[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H9N5O2/c6-5-7-8-9-10(5)3-1-12-2-4(3)11/h3-4,11H,1-2H2,(H2,6,7,9)/t3-,4-/m1/s1
InChIKeyRUMKBOQNZFKPRD-QWWZWVQMSA-N
XLogP-1.81
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methyloxan-4-yl)tetrazol-5-amine
CID 130491831
(3S,4R)-4-[4-(hydroxymethyl)-5-methyltriazol-1-yl]oxolan-3-ol
CID 165448345
1-(2-ethylcyclopentyl)tetrazol-5-amine
CID 131209401
1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-amine
CID 79506517
6-(dimethylamino)-2-(4-hydroxyoxolan-3-yl)pyridazin-3-one
CID 126857374
1-(1,1-dioxothian-4-yl)tetrazol-5-amine
CID 79506704
(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol
CID 126672443
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
CID 126846710
(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780
4-(4-bromopyrazol-1-yl)oxolan-3-ol
CID 130503201
4-(4-methylpyrazol-1-yl)oxolan-3-ol
CID 126850251
1-(3,3-dimethylcyclopentyl)tetrazol-5-amine
CID 114541610

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol (CID 130751634) is (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol is Nc1nnnn1[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol?
The InChIKey is RUMKBOQNZFKPRD-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-5-7-8-9-10(5)3-1-12-2-4(3)11/h3-4,11H,1-2H2,(H2,6,7,9)/t3-,4-/m1/s1.
What are the key properties of (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol?
(3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol has a molecular weight of 171.16 g/mol, XLogP of -1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(5-aminotetrazol-1-yl)oxolan-3-ol is sourced from PubChem (CID 130751634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).