N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine

C12H11N5 — CID 171679809

IUPACN-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
SMILESc1cc(CNc2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C12H11N5/c1-4-13-5-2-9(1)7-15-11-8-16-12-10(17-11)3-6-14-12/h1-6,8H,7H2,(H,14,16)(H,15,17)
InChIKeySIJUQRHBYMRYIO-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.97
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine

N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine (PubChem CID 171679809) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
PubChem CID171679809
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC NameN-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
SMILESc1cc(CNc2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C12H11N5/c1-4-13-5-2-9(1)7-15-11-8-16-12-10(17-11)3-6-14-12/h1-6,8H,7H2,(H,14,16)(H,15,17)
InChIKeySIJUQRHBYMRYIO-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 171679371
N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 171679781
N-tert-butyl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 162470615
2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167880529
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
CID 172683300
5H-pyrrolo[2,3-b]pyrazin-2-ylurea
CID 67385138
5H-pyrrolo[2,3-b]pyrazin-2-ylmethanamine
CID 67361463
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758
2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
CID 43450886
2-N,2-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 64829676

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine (CID 171679809) is N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine is c1cc(CNc2cnc3[nH]ccc3n2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The InChIKey is SIJUQRHBYMRYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-4-13-5-2-9(1)7-15-11-8-16-12-10(17-11)3-6-14-12/h1-6,8H,7H2,(H,14,16)(H,15,17).
What are the key properties of N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine?
N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine has a molecular weight of 225.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazin-2-amine is sourced from PubChem (CID 171679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).