(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide

C10H15N5 — CID 156748802

IUPAC(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
SMILESC=C/C=N\C(=N/C)n1ncnc1C(C)C
InChIInChI=1S/C10H15N5/c1-5-6-12-10(11-4)15-9(8(2)3)13-7-14-15/h5-8H,1H2,2-4H3/b11-10+,12-6-
InChIKeySDZJMLGTUSHMQI-ZRUOXWQYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds2

About (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide

(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide (PubChem CID 156748802) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
PubChem CID156748802
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
SMILESC=C/C=N\C(=N/C)n1ncnc1C(C)C
InChIInChI=1S/C10H15N5/c1-5-6-12-10(11-4)15-9(8(2)3)13-7-14-15/h5-8H,1H2,2-4H3/b11-10+,12-6-
InChIKeySDZJMLGTUSHMQI-ZRUOXWQYSA-N
XLogP1.49
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide with MolForge

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Related Compounds

(2Z)-4-fluoro-N-methyl-1-(5-propan-2-yl-1,2,4-triazol-1-yl)penta-2,4-dien-1-imine
CID 156790868
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
1,3-Di(propan-2-yl)-1,2,4-triazole
CID 58861429
1-(2-Methylpropyl)-3-propan-2-yl-1,2,4-triazole
CID 59287368
1-Propan-2-yl-3-prop-1-en-2-yl-1,2,4-triazole
CID 59796068
1-Ethyl-3-propan-2-yl-1,2,4-triazole
CID 60102744
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-Propan-2-yl-1-propyl-1,2,4-triazole
CID 89080702
1-Methyl-5-prop-1-en-2-yl-1,2,4-triazole
CID 89524384

Frequently Asked Questions

What is the IUPAC name of (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide?
The IUPAC name of (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide (CID 156748802) is (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide.
What is the SMILES notation for (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide?
The canonical SMILES for (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide is C=C/C=N\C(=N/C)n1ncnc1C(C)C.
What is the InChIKey of (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide?
The InChIKey is SDZJMLGTUSHMQI-ZRUOXWQYSA-N. The full InChI is InChI=1S/C10H15N5/c1-5-6-12-10(11-4)15-9(8(2)3)13-7-14-15/h5-8H,1H2,2-4H3/b11-10+,12-6-.
What are the key properties of (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide?
(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide has a molecular weight of 205.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide is sourced from PubChem (CID 156748802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).