1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine

C11H13N5 — CID 103204643

IUPAC1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nnc3ccccc3n2)C1
InChIInChI=1S/C11H13N5/c12-8-5-6-16(7-8)11-13-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7,12H2
InChIKeySKNALOCTSBTGFZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.56
Rot. Bonds1

About 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine

1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine (PubChem CID 103204643) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
PubChem CID103204643
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nnc3ccccc3n2)C1
InChIInChI=1S/C11H13N5/c12-8-5-6-16(7-8)11-13-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7,12H2
InChIKeySKNALOCTSBTGFZ-UHFFFAOYSA-N
XLogP0.56
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
CID 103204663
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
methyl 1-(1,2,4-benzotriazin-3-yl)piperidine-4-carboxylate
CID 103204947
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204630
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine (CID 103204643) is 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine is NC1CCN(c2nnc3ccccc3n2)C1.
What is the InChIKey of 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine?
The InChIKey is SKNALOCTSBTGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-8-5-6-16(7-8)11-13-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7,12H2.
What are the key properties of 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine?
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine has a molecular weight of 215.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 103204643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).