2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine

C13H15N5 — CID 139404860

IUPAC2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N5/c14-11-8-4-7-10(11)13-17-15-12(16-18-13)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,14H2
InChIKeyPOBXWNBBKVLJDV-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.53
Rot. Bonds2

About 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine

2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine (PubChem CID 139404860) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine
PubChem CID139404860
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine
SMILESNC1CCCC1c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N5/c14-11-8-4-7-10(11)13-17-15-12(16-18-13)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,14H2
InChIKeyPOBXWNBBKVLJDV-UHFFFAOYSA-N
XLogP1.53
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentyl]carbamate
CID 158865986
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815657
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662
cis-(1S,2S)-2-phenylcyclohexan-1-amine;trans-(1R,2S)-2-phenylcyclohexan-1-ol
CID 158450943
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
(1R)-2-(1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 175378525
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
2-(6-methyl-2-pyridinyl)cyclopentan-1-amine
CID 130045918
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117122
[2-[(1R,2R)-2-aminocyclopentyl]phenyl]methanol
CID 131172314

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine (CID 139404860) is 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine is NC1CCCC1c1nnc(-c2ccccc2)nn1.
What is the InChIKey of 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine?
The InChIKey is POBXWNBBKVLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-11-8-4-7-10(11)13-17-15-12(16-18-13)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,14H2.
What are the key properties of 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine?
2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-1,2,4,5-tetrazin-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 139404860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).