N-propan-2-yl-2H-1,3,5-triazin-1-amine

C6H12N4 — CID 21425854

IUPACN-propan-2-yl-2H-1,3,5-triazin-1-amine
SMILESCC(C)NN1C=NC=NC1
InChIInChI=1S/C6H12N4/c1-6(2)9-10-4-7-3-8-5-10/h3-4,6,9H,5H2,1-2H3
InChIKeyHBOUKZDLIUDGKU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.23
Rot. Bonds2

About N-propan-2-yl-2H-1,3,5-triazin-1-amine

N-propan-2-yl-2H-1,3,5-triazin-1-amine (PubChem CID 21425854) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-propan-2-yl-2H-1,3,5-triazin-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2H-1,3,5-triazin-1-amine
PubChem CID21425854
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-propan-2-yl-2H-1,3,5-triazin-1-amine
SMILESCC(C)NN1C=NC=NC1
InChIInChI=1S/C6H12N4/c1-6(2)9-10-4-7-3-8-5-10/h3-4,6,9H,5H2,1-2H3
InChIKeyHBOUKZDLIUDGKU-UHFFFAOYSA-N
XLogP0.23
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2H-1,3,5-triazin-1-amine?
The IUPAC name of N-propan-2-yl-2H-1,3,5-triazin-1-amine (CID 21425854) is N-propan-2-yl-2H-1,3,5-triazin-1-amine.
What is the SMILES notation for N-propan-2-yl-2H-1,3,5-triazin-1-amine?
The canonical SMILES for N-propan-2-yl-2H-1,3,5-triazin-1-amine is CC(C)NN1C=NC=NC1.
What is the InChIKey of N-propan-2-yl-2H-1,3,5-triazin-1-amine?
The InChIKey is HBOUKZDLIUDGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2)9-10-4-7-3-8-5-10/h3-4,6,9H,5H2,1-2H3.
What are the key properties of N-propan-2-yl-2H-1,3,5-triazin-1-amine?
N-propan-2-yl-2H-1,3,5-triazin-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2H-1,3,5-triazin-1-amine is sourced from PubChem (CID 21425854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).