1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine

C9H17N5 — CID 57129738

IUPAC1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine
SMILESCN1CCCC1CN1C=NC(N)=NC1
InChIInChI=1S/C9H17N5/c1-13-4-2-3-8(13)5-14-6-11-9(10)12-7-14/h6,8H,2-5,7H2,1H3,(H2,10,12)
InChIKeyZHBDGWFNJNZWQJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.30
Rot. Bonds2

About 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine

1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine (PubChem CID 57129738) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine
PubChem CID57129738
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine
SMILESCN1CCCC1CN1C=NC(N)=NC1
InChIInChI=1S/C9H17N5/c1-13-4-2-3-8(13)5-14-6-11-9(10)12-7-14/h6,8H,2-5,7H2,1H3,(H2,10,12)
InChIKeyZHBDGWFNJNZWQJ-UHFFFAOYSA-N
XLogP-0.30
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine (CID 57129738) is 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine is CN1CCCC1CN1C=NC(N)=NC1.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine?
The InChIKey is ZHBDGWFNJNZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13-4-2-3-8(13)5-14-6-11-9(10)12-7-14/h6,8H,2-5,7H2,1H3,(H2,10,12).
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine?
1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine has a molecular weight of 195.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methyl]-2H-1,3,5-triazin-4-amine is sourced from PubChem (CID 57129738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).