N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine

C11H18N4 — CID 104924441

IUPACN-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)(C)C2CC2)nc1C
InChIInChI=1S/C11H18N4/c1-7-8(2)14-15-10(12-7)13-11(3,4)9-5-6-9/h9H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyXLPYRGQTOBLNLX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.09
Rot. Bonds3

About N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine

N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 104924441) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID104924441
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)(C)C2CC2)nc1C
InChIInChI=1S/C11H18N4/c1-7-8(2)14-15-10(12-7)13-11(3,4)9-5-6-9/h9H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyXLPYRGQTOBLNLX-UHFFFAOYSA-N
XLogP2.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
CID 114787028
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol
CID 104924817
5,6-dimethyl-N-(thian-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114448553
1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 114787209
N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448626
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 146141713
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
CID 171756439
5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]pyrrolidin-2-one
CID 114448549
2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenylpropane-1,2-diamine
CID 105060691
5,6-dimethyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 114448388
6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 135243425

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 104924441) is N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NC(C)(C)C2CC2)nc1C.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is XLPYRGQTOBLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7-8(2)14-15-10(12-7)13-11(3,4)9-5-6-9/h9H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).