6-aminopyrene-1-carbonitrile

C17H10N2 — CID 23131487

IUPAC6-aminopyrene-1-carbonitrile
SMILESN#Cc1ccc2ccc3c(N)ccc4ccc1c2c43
InChIInChI=1S/C17H10N2/c18-9-12-2-1-10-4-7-14-15(19)8-5-11-3-6-13(12)16(10)17(11)14/h1-8H,19H2
InChIKeyPQVYNFCFNNEJMA-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.04
Rot. Bonds

About 6-aminopyrene-1-carbonitrile

6-aminopyrene-1-carbonitrile (PubChem CID 23131487) has the molecular formula C17H10N2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-aminopyrene-1-carbonitrile.

Molecular Properties

Compound Name6-aminopyrene-1-carbonitrile
PubChem CID23131487
Molecular FormulaC17H10N2
Molecular Weight242.28 g/mol
Exact Mass242.08
IUPAC Name6-aminopyrene-1-carbonitrile
SMILESN#Cc1ccc2ccc3c(N)ccc4ccc1c2c43
InChIInChI=1S/C17H10N2/c18-9-12-2-1-10-4-7-14-15(19)8-5-11-3-6-13(12)16(10)17(11)14/h1-8H,19H2
InChIKeyPQVYNFCFNNEJMA-UHFFFAOYSA-N
XLogP4.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-aminopyrene-2-carbonitrile
CID 23131452
pyren-1-amine
CID 15352
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
pyren-1-amine;pyrene-1,3-diamine;pyrene-1,6-diamine;pyrene-1,8-diamine
CID 175402648
1,8-diethynylpyrene
CID 53420148
3,4-diamino-2-methoxybenzonitrile
CID 67059560
6-phenoxazin-10-ylpyrene-1-carbonitrile
CID 145009256
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21(30),22,24,26,28-pentadecaene-16-carbonitrile
CID 102099148
4-(2-pyren-1-ylethynyl)benzonitrile
CID 53231628
carbamoylurea;perylene-3-carbonitrile
CID 87962233
naphthalene-1,2,8-tricarbonitrile
CID 54287628
5-amino-4-(methylamino)naphthalene-1-carbonitrile
CID 123962869

Frequently Asked Questions

What is the IUPAC name of 6-aminopyrene-1-carbonitrile?
The IUPAC name of 6-aminopyrene-1-carbonitrile (CID 23131487) is 6-aminopyrene-1-carbonitrile.
What is the SMILES notation for 6-aminopyrene-1-carbonitrile?
The canonical SMILES for 6-aminopyrene-1-carbonitrile is N#Cc1ccc2ccc3c(N)ccc4ccc1c2c43.
What is the InChIKey of 6-aminopyrene-1-carbonitrile?
The InChIKey is PQVYNFCFNNEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2/c18-9-12-2-1-10-4-7-14-15(19)8-5-11-3-6-13(12)16(10)17(11)14/h1-8H,19H2.
What are the key properties of 6-aminopyrene-1-carbonitrile?
6-aminopyrene-1-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyrene-1-carbonitrile is sourced from PubChem (CID 23131487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).