2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C9H16N6 — CID 91040015

IUPAC2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2ncnc(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-15-4-2-7(3-5-15)13-9-12-6-11-8(10)14-9/h6-7H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeySNARVNTXPAVQSJ-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.04
Rot. Bonds2

About 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 91040015) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID91040015
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2ncnc(N)n2)CC1
InChIInChI=1S/C9H16N6/c1-15-4-2-7(3-5-15)13-9-12-6-11-8(10)14-9/h6-7H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeySNARVNTXPAVQSJ-UHFFFAOYSA-N
XLogP-0.04
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 91040015) is 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CN1CCC(Nc2ncnc(N)n2)CC1.
What is the InChIKey of 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SNARVNTXPAVQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-15-4-2-7(3-5-15)13-9-12-6-11-8(10)14-9/h6-7H,2-5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 208.27 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91040015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).