N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

C10H15N5 — CID 112939679

IUPACN-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESC=CCNc1nncc(N2CCCC2)n1
InChIInChI=1S/C10H15N5/c1-2-5-11-10-13-9(8-12-14-10)15-6-3-4-7-15/h2,8H,1,3-7H2,(H,11,13,14)
InChIKeyXGCXKTISXYIUNZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds4

About N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112939679) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112939679
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESC=CCNc1nncc(N2CCCC2)n1
InChIInChI=1S/C10H15N5/c1-2-5-11-10-13-9(8-12-14-10)15-6-3-4-7-15/h2,8H,1,3-7H2,(H,11,13,14)
InChIKeyXGCXKTISXYIUNZ-UHFFFAOYSA-N
XLogP1.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(prop-2-enylamino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112939694
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
CID 112939742
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938975
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938292

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112939679) is N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is C=CCNc1nncc(N2CCCC2)n1.
What is the InChIKey of N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is XGCXKTISXYIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-2-5-11-10-13-9(8-12-14-10)15-6-3-4-7-15/h2,8H,1,3-7H2,(H,11,13,14).
What are the key properties of N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112939679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).