5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine

C8H17N5 — CID 118002806

IUPAC5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine
SMILES[H]/N=c1\nc(N)n(C(C)C)n1C(C)C
InChIInChI=1S/C8H17N5/c1-5(2)12-7(9)11-8(10)13(12)6(3)4/h5-6H,1-4H3,(H3,9,10,11)
InChIKeySQGIIVHNWSYMKN-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.91
Rot. Bonds2

About 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine

5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 118002806) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine
PubChem CID118002806
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine
SMILES[H]/N=c1\nc(N)n(C(C)C)n1C(C)C
InChIInChI=1S/C8H17N5/c1-5(2)12-7(9)11-8(10)13(12)6(3)4/h5-6H,1-4H3,(H3,9,10,11)
InChIKeySQGIIVHNWSYMKN-UHFFFAOYSA-N
XLogP0.91
TPSA72.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine (CID 118002806) is 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine is [H]/N=c1\nc(N)n(C(C)C)n1C(C)C.
What is the InChIKey of 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is SQGIIVHNWSYMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5(2)12-7(9)11-8(10)13(12)6(3)4/h5-6H,1-4H3,(H3,9,10,11).
What are the key properties of 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine?
5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 183.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 118002806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).