(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C6H8FN3 — CID 142577328

IUPAC(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(n1)CC[C@H]2F
InChIInChI=1S/C6H8FN3/c1-4-8-6-5(7)2-3-10(6)9-4/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyDCHQDNSQZLTRKX-RXMQYKEDSA-N
MW141.15 g/mol
LogP1.00
Rot. Bonds

About (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 142577328) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID142577328
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(n1)CC[C@H]2F
InChIInChI=1S/C6H8FN3/c1-4-8-6-5(7)2-3-10(6)9-4/h5H,2-3H2,1H3/t5-/m1/s1
InChIKeyDCHQDNSQZLTRKX-RXMQYKEDSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 51072271
3-iodo-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazole
CID 163769825
5-Ethyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 89019157
3-Ethyl-5-fluoro-1-methyl-1,2,4-triazole
CID 124002448
3-(Difluoromethyl)-1,5-diethyl-1,2,4-triazole
CID 134469048
2-tert-butyl-5-(1,1-difluoroethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 134571270
5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 134571884
5-ethyl-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 137412571
2-cyclopropyl-7-fluoro-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138504529
2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138553478
2-(difluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138553683
(7R)-7-fluoro-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 142555694

Frequently Asked Questions

What is the IUPAC name of (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 142577328) is (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is Cc1nc2n(n1)CC[C@H]2F.
What is the InChIKey of (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is DCHQDNSQZLTRKX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8FN3/c1-4-8-6-5(7)2-3-10(6)9-4/h5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 141.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-fluoro-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 142577328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).