[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol

C13H16N4O — CID 164640565

IUPAC[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol
SMILESC[C@H](Nc1ccc2nccnc2n1)C1(CO)CC1
InChIInChI=1S/C13H16N4O/c1-9(13(8-18)4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17)/t9-/m0/s1
InChIKeyWHJIEBXRNRFDOM-VIFPVBQESA-N
MW244.30 g/mol
LogP1.60
Rot. Bonds4

About [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol

[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol (PubChem CID 164640565) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol
PubChem CID164640565
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol
SMILESC[C@H](Nc1ccc2nccnc2n1)C1(CO)CC1
InChIInChI=1S/C13H16N4O/c1-9(13(8-18)4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17)/t9-/m0/s1
InChIKeyWHJIEBXRNRFDOM-VIFPVBQESA-N
XLogP1.60
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol (CID 164640565) is [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol is C[C@H](Nc1ccc2nccnc2n1)C1(CO)CC1.
What is the InChIKey of [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol?
The InChIKey is WHJIEBXRNRFDOM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(13(8-18)4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,15,16,17)/t9-/m0/s1.
What are the key properties of [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol?
[1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol has a molecular weight of 244.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 164640565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).