ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol

C21H25N7O — CID 145236065

IUPACethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESCC.CCNc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1
InChIInChI=1S/C19H19N7O.C2H6/c1-2-20-16-11-14(6-9-22-16)23-19-17-13(12-27)7-10-26(17)25-18(24-19)15-5-3-4-8-21-15;1-2/h3-11,27H,2,12H2,1H3,(H2,20,22,23,24,25);1-2H3
InChIKeyVNDAZBUKMFNVLJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.88
Rot. Bonds6

About ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol

ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (PubChem CID 145236065) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.

Molecular Properties

Compound Nameethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
PubChem CID145236065
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Nameethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESCC.CCNc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1
InChIInChI=1S/C19H19N7O.C2H6/c1-2-20-16-11-14(6-9-22-16)23-19-17-13(12-27)7-10-26(17)25-18(24-19)15-5-3-4-8-21-15;1-2/h3-11,27H,2,12H2,1H3,(H2,20,22,23,24,25);1-2H3
InChIKeyVNDAZBUKMFNVLJ-UHFFFAOYSA-N
XLogP3.88
TPSA100.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The IUPAC name of ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (CID 145236065) is ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.
What is the SMILES notation for ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The canonical SMILES for ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is CC.CCNc1cc(Nc2nc(-c3ccccn3)nn3ccc(CO)c23)ccn1.
What is the InChIKey of ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The InChIKey is VNDAZBUKMFNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.C2H6/c1-2-20-16-11-14(6-9-22-16)23-19-17-13(12-27)7-10-26(17)25-18(24-19)15-5-3-4-8-21-15;1-2/h3-11,27H,2,12H2,1H3,(H2,20,22,23,24,25);1-2H3.
What are the key properties of ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol has a molecular weight of 391.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is sourced from PubChem (CID 145236065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).