4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine

C14H24N6O — CID 80779052

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyICLUSBFPMODXNX-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.77
Rot. Bonds6

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine

4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80779052) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80779052
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyICLUSBFPMODXNX-UHFFFAOYSA-N
XLogP0.77
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine (CID 80779052) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ICLUSBFPMODXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-2-9-21-14-17-12(15)16-13(18-14)20-7-5-19(6-8-20)10-11-3-4-11/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80779052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).