(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide

C10H17N7O3 — CID 135733730

IUPAC(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide
SMILESCC(C)c1noc(CN2CN(C)CN/C2=N/[N+](=O)[O-])n1
InChIInChI=1S/C10H17N7O3/c1-7(2)9-12-8(20-14-9)4-16-6-15(3)5-11-10(16)13-17(18)19/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyZINKRCXOCPEVQV-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.01
Rot. Bonds4

About (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide

(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide (PubChem CID 135733730) has the molecular formula C10H17N7O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide
PubChem CID135733730
Molecular FormulaC10H17N7O3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide
SMILESCC(C)c1noc(CN2CN(C)CN/C2=N/[N+](=O)[O-])n1
InChIInChI=1S/C10H17N7O3/c1-7(2)9-12-8(20-14-9)4-16-6-15(3)5-11-10(16)13-17(18)19/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyZINKRCXOCPEVQV-UHFFFAOYSA-N
XLogP-0.01
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide?
The IUPAC name of (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide (CID 135733730) is (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide is CC(C)c1noc(CN2CN(C)CN/C2=N/[N+](=O)[O-])n1.
What is the InChIKey of (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide?
The InChIKey is ZINKRCXOCPEVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O3/c1-7(2)9-12-8(20-14-9)4-16-6-15(3)5-11-10(16)13-17(18)19/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide?
(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide has a molecular weight of 283.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide is sourced from PubChem (CID 135733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).