2,3-di(propan-2-yl)-1,3,5-triazepine

C10H17N3 — CID 58762912

IUPAC2,3-di(propan-2-yl)-1,3,5-triazepine
SMILESCC(C)C1=NC=CN=CN1C(C)C
InChIInChI=1S/C10H17N3/c1-8(2)10-12-6-5-11-7-13(10)9(3)4/h5-9H,1-4H3
InChIKeyWBXAZVCBKYHCSQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.26
Rot. Bonds2

About 2,3-di(propan-2-yl)-1,3,5-triazepine

2,3-di(propan-2-yl)-1,3,5-triazepine (PubChem CID 58762912) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1,3,5-triazepine.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1,3,5-triazepine
PubChem CID58762912
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2,3-di(propan-2-yl)-1,3,5-triazepine
SMILESCC(C)C1=NC=CN=CN1C(C)C
InChIInChI=1S/C10H17N3/c1-8(2)10-12-6-5-11-7-13(10)9(3)4/h5-9H,1-4H3
InChIKeyWBXAZVCBKYHCSQ-UHFFFAOYSA-N
XLogP2.26
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-1,3,5-triazepine?
The IUPAC name of 2,3-di(propan-2-yl)-1,3,5-triazepine (CID 58762912) is 2,3-di(propan-2-yl)-1,3,5-triazepine.
What is the SMILES notation for 2,3-di(propan-2-yl)-1,3,5-triazepine?
The canonical SMILES for 2,3-di(propan-2-yl)-1,3,5-triazepine is CC(C)C1=NC=CN=CN1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1,3,5-triazepine?
The InChIKey is WBXAZVCBKYHCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)10-12-6-5-11-7-13(10)9(3)4/h5-9H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-1,3,5-triazepine?
2,3-di(propan-2-yl)-1,3,5-triazepine has a molecular weight of 179.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1,3,5-triazepine is sourced from PubChem (CID 58762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).