5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C15H14FN5 — CID 169116941

IUPAC5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1
InChIInChI=1S/C15H14FN5/c1-15(4-5-15)9-2-3-11(18-7-9)12-6-10(16)13-8-19-14(17)20-21(12)13/h2-3,6-8H,4-5H2,1H3,(H2,17,20)
InChIKeyKTCTUHOXYGLYKE-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.56
Rot. Bonds2

About 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169116941) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169116941
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1
InChIInChI=1S/C15H14FN5/c1-15(4-5-15)9-2-3-11(18-7-9)12-6-10(16)13-8-19-14(17)20-21(12)13/h2-3,6-8H,4-5H2,1H3,(H2,17,20)
InChIKeyKTCTUHOXYGLYKE-UHFFFAOYSA-N
XLogP2.56
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169116941) is 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is CC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1.
What is the InChIKey of 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is KTCTUHOXYGLYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-15(4-5-15)9-2-3-11(18-7-9)12-6-10(16)13-8-19-14(17)20-21(12)13/h2-3,6-8H,4-5H2,1H3,(H2,17,20).
What are the key properties of 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 283.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169116941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).