CID 87167875

C15H17AsN4 — CID 87167875

IUPAC—
SMILES[As]C1CCN(c2ccnc(NCc3ccccn3)c2)C1
InChIInChI=1S/C15H17AsN4/c16-12-5-8-20(11-12)14-4-7-18-15(9-14)19-10-13-3-1-2-6-17-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,18,19)
InChIKeyZHSQUAZNWZQXAE-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.26
Rot. Bonds4

About CID 87167875

CID 87167875 (PubChem CID 87167875) has the molecular formula C15H17AsN4 and a molecular weight of 328.25 g/mol.

Molecular Properties

Compound NameCID 87167875
PubChem CID87167875
Molecular FormulaC15H17AsN4
Molecular Weight328.25 g/mol
Exact Mass328.07
IUPAC Name—
SMILES[As]C1CCN(c2ccnc(NCc3ccccn3)c2)C1
InChIInChI=1S/C15H17AsN4/c16-12-5-8-20(11-12)14-4-7-18-15(9-14)19-10-13-3-1-2-6-17-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,18,19)
InChIKeyZHSQUAZNWZQXAE-UHFFFAOYSA-N
XLogP2.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547719
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
4-[(1-methylazepan-4-yl)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 110257678
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
6-methyl-2-(1-methylpiperidin-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 110257270
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
6-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919365
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 58227177
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 83468973

Frequently Asked Questions

What is the IUPAC name of CID 87167875?
The IUPAC name of CID 87167875 (CID 87167875) is not available.
What is the SMILES notation for CID 87167875?
The canonical SMILES for CID 87167875 is [As]C1CCN(c2ccnc(NCc3ccccn3)c2)C1.
What is the InChIKey of CID 87167875?
The InChIKey is ZHSQUAZNWZQXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17AsN4/c16-12-5-8-20(11-12)14-4-7-18-15(9-14)19-10-13-3-1-2-6-17-13/h1-4,6-7,9,12H,5,8,10-11H2,(H,18,19).
What are the key properties of CID 87167875?
CID 87167875 has a molecular weight of 328.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167875 is sourced from PubChem (CID 87167875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).