1,2,3-tri(propan-2-yl)triazinane

C12H27N3 — CID 19904989

IUPAC1,2,3-tri(propan-2-yl)triazinane
SMILESCC(C)N1CCCN(C(C)C)N1C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyWXSKJFGMEBUKSZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.35
Rot. Bonds3

About 1,2,3-tri(propan-2-yl)triazinane

1,2,3-tri(propan-2-yl)triazinane (PubChem CID 19904989) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1,2,3-tri(propan-2-yl)triazinane.

Molecular Properties

Compound Name1,2,3-tri(propan-2-yl)triazinane
PubChem CID19904989
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1,2,3-tri(propan-2-yl)triazinane
SMILESCC(C)N1CCCN(C(C)C)N1C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyWXSKJFGMEBUKSZ-UHFFFAOYSA-N
XLogP2.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tri(propan-2-yl)triazinane?
The IUPAC name of 1,2,3-tri(propan-2-yl)triazinane (CID 19904989) is 1,2,3-tri(propan-2-yl)triazinane.
What is the SMILES notation for 1,2,3-tri(propan-2-yl)triazinane?
The canonical SMILES for 1,2,3-tri(propan-2-yl)triazinane is CC(C)N1CCCN(C(C)C)N1C(C)C.
What is the InChIKey of 1,2,3-tri(propan-2-yl)triazinane?
The InChIKey is WXSKJFGMEBUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 1,2,3-tri(propan-2-yl)triazinane?
1,2,3-tri(propan-2-yl)triazinane has a molecular weight of 213.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tri(propan-2-yl)triazinane is sourced from PubChem (CID 19904989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).