1-[[(2R)-pyrrolidin-2-yl]methyl]triazole

C7H12N4 — CID 98042437

IUPAC1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
SMILESc1cn(C[C@H]2CCCN2)nn1
InChIInChI=1S/C7H12N4/c1-2-7(8-3-1)6-11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m1/s1
InChIKeyMJIWVLBPVFCYJB-SSDOTTSWSA-N
MW152.20 g/mol
LogP0.03
Rot. Bonds2

About 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole

1-[[(2R)-pyrrolidin-2-yl]methyl]triazole (PubChem CID 98042437) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole.

Molecular Properties

Compound Name1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
PubChem CID98042437
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
SMILESc1cn(C[C@H]2CCCN2)nn1
InChIInChI=1S/C7H12N4/c1-2-7(8-3-1)6-11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m1/s1
InChIKeyMJIWVLBPVFCYJB-SSDOTTSWSA-N
XLogP0.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(triazol-1-yl)ethyl]azepane
CID 141161255
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 98042456
2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole?
The IUPAC name of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole (CID 98042437) is 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole.
What is the SMILES notation for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole?
The canonical SMILES for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole is c1cn(C[C@H]2CCCN2)nn1.
What is the InChIKey of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole?
The InChIKey is MJIWVLBPVFCYJB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-7(8-3-1)6-11-5-4-9-10-11/h4-5,7-8H,1-3,6H2/t7-/m1/s1.
What are the key properties of 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole?
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole has a molecular weight of 152.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-pyrrolidin-2-yl]methyl]triazole is sourced from PubChem (CID 98042437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).