2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile

C11H15N5 — CID 43461956

IUPAC2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C11H15N5/c12-3-4-15-5-7-16(8-6-15)10-1-2-11(13)14-9-10/h1-2,9H,4-8H2,(H2,13,14)
InChIKeyQBFRIZPMZWYLMI-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.31
Rot. Bonds2

About 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile

2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile (PubChem CID 43461956) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
PubChem CID43461956
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile
SMILESN#CCN1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C11H15N5/c12-3-4-15-5-7-16(8-6-15)10-1-2-11(13)14-9-10/h1-2,9H,4-8H2,(H2,13,14)
InChIKeyQBFRIZPMZWYLMI-UHFFFAOYSA-N
XLogP0.31
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(6-amino-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 60870023
3-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62683141
2-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]acetonitrile
CID 94280400
5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
CID 62698240
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948
6-[4-(6-amino-3-pyridinyl)piperazin-1-yl]hexan-1-ol
CID 107704033
5-[4-(2-methylbutyl)piperazin-1-yl]pyridin-2-amine
CID 62104206
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
5-(azepan-1-yl)pyridin-2-amine;dihydrochloride
CID 75537462
5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-2-amine
CID 62127280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile (CID 43461956) is 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile is N#CCN1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile?
The InChIKey is QBFRIZPMZWYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-3-4-15-5-7-16(8-6-15)10-1-2-11(13)14-9-10/h1-2,9H,4-8H2,(H2,13,14).
What are the key properties of 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile?
2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 43461956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).