6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C9H17N7 — CID 104977266

IUPAC6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H]1CN(Cc2nc(N)nc(N)n2)CCN1
InChIInChI=1S/C9H17N7/c1-6-4-16(3-2-12-6)5-7-13-8(10)15-9(11)14-7/h6,12H,2-5H2,1H3,(H4,10,11,13,14,15)/t6-/m0/s1
InChIKeyPWAKBMIUAWEMPV-LURJTMIESA-N
MW223.28 g/mol
LogP-1.17
Rot. Bonds2

About 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 104977266) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID104977266
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H]1CN(Cc2nc(N)nc(N)n2)CCN1
InChIInChI=1S/C9H17N7/c1-6-4-16(3-2-12-6)5-7-13-8(10)15-9(11)14-7/h6,12H,2-5H2,1H3,(H4,10,11,13,14,15)/t6-/m0/s1
InChIKeyPWAKBMIUAWEMPV-LURJTMIESA-N
XLogP-1.17
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 103576707
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3S)-1-[(2,5-dichloro-3-methylimidazol-4-yl)methyl]-3-methylpiperazine
CID 103885718
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 104977266) is 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is C[C@H]1CN(Cc2nc(N)nc(N)n2)CCN1.
What is the InChIKey of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PWAKBMIUAWEMPV-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N7/c1-6-4-16(3-2-12-6)5-7-13-8(10)15-9(11)14-7/h6,12H,2-5H2,1H3,(H4,10,11,13,14,15)/t6-/m0/s1.
What are the key properties of 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104977266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).