[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine

C8H13N5 — CID 112709458

IUPAC[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cncnn1
InChIInChI=1S/C8H13N5/c9-4-7-2-1-3-13(7)8-5-10-6-11-12-8/h5-7H,1-4,9H2
InChIKeyYOILFMZWSSHLII-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.20
Rot. Bonds2

About [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine

[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine (PubChem CID 112709458) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine
PubChem CID112709458
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cncnn1
InChIInChI=1S/C8H13N5/c9-4-7-2-1-3-13(7)8-5-10-6-11-12-8/h5-7H,1-4,9H2
InChIKeyYOILFMZWSSHLII-UHFFFAOYSA-N
XLogP-0.20
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
CID 131071995
[1-(1,2,4-triazin-6-yl)piperidin-4-yl]methanamine
CID 112709666
[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
CID 116973042
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270
[1-(6-propylpyridazin-3-yl)pyrrolidin-2-yl]methanamine
CID 116973022
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
[1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
CID 116973044
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine (CID 112709458) is [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1cncnn1.
What is the InChIKey of [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is YOILFMZWSSHLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c9-4-7-2-1-3-13(7)8-5-10-6-11-12-8/h5-7H,1-4,9H2.
What are the key properties of [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine?
[1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 179.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4-triazin-6-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 112709458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).