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

C10H19N5 — CID 112938692

IUPAC3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)CNc1nncc(NC(C)C)n1
InChIInChI=1S/C10H19N5/c1-7(2)5-11-10-14-9(6-12-15-10)13-8(3)4/h6-8H,5H2,1-4H3,(H2,11,13,14,15)
InChIKeyAJNHXCPDULCNKS-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.76
Rot. Bonds5

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

3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938692) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938692
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)CNc1nncc(NC(C)C)n1
InChIInChI=1S/C10H19N5/c1-7(2)5-11-10-14-9(6-12-15-10)13-8(3)4/h6-8H,5H2,1-4H3,(H2,11,13,14,15)
InChIKeyAJNHXCPDULCNKS-UHFFFAOYSA-N
XLogP1.76
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
3-N-[(4-chlorophenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938721
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938729
5-N-(4-ethylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940558
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938733
3-N-(2-methylpropyl)-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112940492
5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940546
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938744
5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940479
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938692) is 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)CNc1nncc(NC(C)C)n1.
What is the InChIKey of 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is AJNHXCPDULCNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-7(2)5-11-10-14-9(6-12-15-10)13-8(3)4/h6-8H,5H2,1-4H3,(H2,11,13,14,15).
What are the key properties of 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).