4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile

C14H17N5 — CID 65192784

IUPAC4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile
SMILESCCCC(CN)Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H17N5/c1-2-5-10(8-15)17-14-11-6-3-4-7-12(11)18-19-13(14)9-16/h3-4,6-7,10H,2,5,8,15H2,1H3,(H,17,18)
InChIKeyCNPQFFFCQNLRLY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.04
Rot. Bonds5

About 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile

4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile (PubChem CID 65192784) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile
PubChem CID65192784
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile
SMILESCCCC(CN)Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C14H17N5/c1-2-5-10(8-15)17-14-11-6-3-4-7-12(11)18-19-13(14)9-16/h3-4,6-7,10H,2,5,8,15H2,1H3,(H,17,18)
InChIKeyCNPQFFFCQNLRLY-UHFFFAOYSA-N
XLogP2.04
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile (CID 65192784) is 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile is CCCC(CN)Nc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile?
The InChIKey is CNPQFFFCQNLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-5-10(8-15)17-14-11-6-3-4-7-12(11)18-19-13(14)9-16/h3-4,6-7,10H,2,5,8,15H2,1H3,(H,17,18).
What are the key properties of 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile?
4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-ylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 65192784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).