3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile

C10H15N5 — CID 80653025

IUPAC3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1cnc(N)cn1
InChIInChI=1S/C10H15N5/c1-3-15(7-8(2)4-11)10-6-13-9(12)5-14-10/h5-6,8H,3,7H2,1-2H3,(H2,12,13)
InChIKeyHNXCEWOKUIDRGD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.04
Rot. Bonds4

About 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile

3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile (PubChem CID 80653025) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
PubChem CID80653025
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1cnc(N)cn1
InChIInChI=1S/C10H15N5/c1-3-15(7-8(2)4-11)10-6-13-9(12)5-14-10/h5-6,8H,3,7H2,1-2H3,(H2,12,13)
InChIKeyHNXCEWOKUIDRGD-UHFFFAOYSA-N
XLogP1.04
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanenitrile
CID 54988097
3-[ethyl-(4-methyl-5-nitro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 79172605
3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988134
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 54988234
2-[2-cyanopropyl(ethyl)amino]quinoline-4-carbonitrile
CID 63883864
3-[4-(1-aminoethyl)-N-ethylanilino]-2-methylpropanenitrile
CID 54988524
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
CID 83065176
3-[(5-aminoisoquinolin-6-yl)-ethylamino]-2-methylpropanenitrile
CID 106947873
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79826290
2-N-butan-2-yl-2-N-ethylpyrazine-2,5-diamine
CID 80652510

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile (CID 80653025) is 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1cnc(N)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is HNXCEWOKUIDRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-15(7-8(2)4-11)10-6-13-9(12)5-14-10/h5-6,8H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile?
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80653025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).