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

C9H15N5 — CID 82401796

IUPAC1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1nncc(CN2CCC(N)C2)n1
InChIInChI=1S/C9H15N5/c1-7-12-9(4-11-13-7)6-14-3-2-8(10)5-14/h4,8H,2-3,5-6,10H2,1H3
InChIKeyIVZQESSKGJVGAJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.29
Rot. Bonds2

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

1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 82401796) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine
PubChem CID82401796
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1nncc(CN2CCC(N)C2)n1
InChIInChI=1S/C9H15N5/c1-7-12-9(4-11-13-7)6-14-3-2-8(10)5-14/h4,8H,2-3,5-6,10H2,1H3
InChIKeyIVZQESSKGJVGAJ-UHFFFAOYSA-N
XLogP-0.29
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine (CID 82401796) is 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine is Cc1nncc(CN2CCC(N)C2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is IVZQESSKGJVGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7-12-9(4-11-13-7)6-14-3-2-8(10)5-14/h4,8H,2-3,5-6,10H2,1H3.
What are the key properties of 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine?
1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 193.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-triazin-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 82401796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).