(1-pyrrolidin-3-yltriazol-4-yl)methanol

C7H12N4O — CID 86262648

IUPAC(1-pyrrolidin-3-yltriazol-4-yl)methanol
SMILESOCc1cn(C2CCNC2)nn1
InChIInChI=1S/C7H12N4O/c12-5-6-4-11(10-9-6)7-1-2-8-3-7/h4,7-8,12H,1-3,5H2
InChIKeyOXYWNKORLFUOQX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.70
Rot. Bonds2

About (1-pyrrolidin-3-yltriazol-4-yl)methanol

(1-pyrrolidin-3-yltriazol-4-yl)methanol (PubChem CID 86262648) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (1-pyrrolidin-3-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-pyrrolidin-3-yltriazol-4-yl)methanol
PubChem CID86262648
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(1-pyrrolidin-3-yltriazol-4-yl)methanol
SMILESOCc1cn(C2CCNC2)nn1
InChIInChI=1S/C7H12N4O/c12-5-6-4-11(10-9-6)7-1-2-8-3-7/h4,7-8,12H,1-3,5H2
InChIKeyOXYWNKORLFUOQX-UHFFFAOYSA-N
XLogP-0.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-pyrrolidin-3-yltriazol-4-yl)methanol?
The IUPAC name of (1-pyrrolidin-3-yltriazol-4-yl)methanol (CID 86262648) is (1-pyrrolidin-3-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-pyrrolidin-3-yltriazol-4-yl)methanol?
The canonical SMILES for (1-pyrrolidin-3-yltriazol-4-yl)methanol is OCc1cn(C2CCNC2)nn1.
What is the InChIKey of (1-pyrrolidin-3-yltriazol-4-yl)methanol?
The InChIKey is OXYWNKORLFUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c12-5-6-4-11(10-9-6)7-1-2-8-3-7/h4,7-8,12H,1-3,5H2.
What are the key properties of (1-pyrrolidin-3-yltriazol-4-yl)methanol?
(1-pyrrolidin-3-yltriazol-4-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrrolidin-3-yltriazol-4-yl)methanol is sourced from PubChem (CID 86262648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).