5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C14H14FN9 — CID 178001056

IUPAC5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(N)nn2ccc(-c3ccc4nnn(CCF)c4n3)c12
InChIInChI=1S/C14H14FN9/c1-17-12-11-8(4-6-23(11)21-14(16)19-12)9-2-3-10-13(18-9)24(7-5-15)22-20-10/h2-4,6H,5,7H2,1H3,(H3,16,17,19,21)
InChIKeyCYGNETOSPAJRST-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.13
Rot. Bonds4

About 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 178001056) has the molecular formula C14H14FN9 and a molecular weight of 327.33 g/mol. Its IUPAC name is 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID178001056
Molecular FormulaC14H14FN9
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(N)nn2ccc(-c3ccc4nnn(CCF)c4n3)c12
InChIInChI=1S/C14H14FN9/c1-17-12-11-8(4-6-23(11)21-14(16)19-12)9-2-3-10-13(18-9)24(7-5-15)22-20-10/h2-4,6H,5,7H2,1H3,(H3,16,17,19,21)
InChIKeyCYGNETOSPAJRST-UHFFFAOYSA-N
XLogP1.13
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 178001056) is 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CNc1nc(N)nn2ccc(-c3ccc4nnn(CCF)c4n3)c12.
What is the InChIKey of 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is CYGNETOSPAJRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN9/c1-17-12-11-8(4-6-23(11)21-14(16)19-12)9-2-3-10-13(18-9)24(7-5-15)22-20-10/h2-4,6H,5,7H2,1H3,(H3,16,17,19,21).
What are the key properties of 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 327.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 178001056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).