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

C9H17N5 — CID 130532591

IUPAC2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)C(C)Nc1ncnc(N)n1
InChIInChI=1S/C9H17N5/c1-4-6(2)7(3)13-9-12-5-11-8(10)14-9/h5-7H,4H2,1-3H3,(H3,10,11,12,13,14)
InChIKeySFPFYESHIXMJHO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.30
Rot. Bonds4

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

2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532591) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130532591
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)C(C)Nc1ncnc(N)n1
InChIInChI=1S/C9H17N5/c1-4-6(2)7(3)13-9-12-5-11-8(10)14-9/h5-7H,4H2,1-3H3,(H3,10,11,12,13,14)
InChIKeySFPFYESHIXMJHO-UHFFFAOYSA-N
XLogP1.30
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 130532591) is 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(C)C(C)Nc1ncnc(N)n1.
What is the InChIKey of 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SFPFYESHIXMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-6(2)7(3)13-9-12-5-11-8(10)14-9/h5-7H,4H2,1-3H3,(H3,10,11,12,13,14).
What are the key properties of 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).